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rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one

rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one structure

CAS No:
90242-86-7
Formula:
C14H22O
Chemical Name:
rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one
Synonyms:
3-Buten-2-one,4-[(1R,3R)-2,2,3-trimethyl-6-methylenecyclohexyl]-,(3E)-rel-;3-Buten-2-one,4-(2,2,3-trimethyl-6-methylenecyclohexyl)-,[1α(E),3β]-;rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one;trans-γ-Irone;(±)-trans-γ-Irone

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rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one Basic Attributes

Molecular Weight：

206.32388

Exact Mass：

206.32

EC Number：

290-787-9

UNII：

01RLF83V97

Characteristics

PSA：

17.1

XLogP3：

3.5

Computed Properties

Molecular Weight:206.32
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:297
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one

Basic Attributes
Characteristics
Computed Properties

rel-(3E)-4-[(1R,3R)-2,2,3-Trimethyl-6-methylenecyclohexyl]-3-buten-2-one

SDS

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