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4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one structure

CAS No:
15764-81-5
Formula:
C13H18O3
Chemical Name:
4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one
Synonyms:
2-Cyclohexen-1-one,4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-;2-Cyclohexen-1-one,4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-,(E)-(±)-;2-Cyclohexen-1-one,4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-,(E)-;2-Cyclohexen-1-one,4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-;4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one;4-(1-Hydroxy-4-keto-2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one;PBI 344;1-Hydroxy-4-keto-α-ionone;14398-38-0

Description

ChEBI: A dehydrovomifoliol that has S-configuration at the chiral centre.

(6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol.

4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one Basic Attributes

Molecular Weight：

222.284

Exact Mass：

222.28

Characteristics

PSA：

54.4

XLogP3：

0.5

Melting Point：

108-109 °C

Drug Information

MeSH Entry Terms：

dehydrovomifoliol

4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]

Computed Properties

Molecular Weight:222.28
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:54.4
Heavy Atom Count:16
Complexity:388
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: p xylene; propyne; oakwood chemicals; chlorphenamine maleate; miconazole nitrate; fluorosilicic acid

Guide of 4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

SDS

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