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(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one

(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one structure

CAS No:
19598-45-9
Formula:
C15H22O
Chemical Name:
(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Synonyms:
dehydrofukinone;UNII-FX7D1QL7L0;FX7D1QL7L0;(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one;Isopetasan;9,10-Dehydrofukinone;Fukinone, 9,10-dehydro-;CHEMBL4279045;DTXSID50173258

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(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one Basic Attributes

Molecular Weight：

218.34

Exact Mass：

218.167

UNII：

FX7D1QL7L0

DSSTox ID：

DTXSID50173258

Characteristics

PSA：

17.1

XLogP3：

4.1

Density：

0.98±0.1 g/cm3(Predicted)

Boiling Point：

116-120 °C(Press: 3 Torr)

Drug Information

MeSH Entry Terms：

dehydrofukinone

Computed Properties

Molecular Weight:218.33
XLogP3:4.1
Hydrogen Bond Acceptor Count:1
Exact Mass:218.167065321
Monoisotopic Mass:218.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:382
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

(4aR,5S)-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one

SDS

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