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rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone

rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone structure

CAS No:
13485-66-0
Formula:
C12H18O
Chemical Name:
rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone
Synonyms:
2(1H)-Naphthalenone,4a,5,6,7,8,8a-hexahydro-4a,8a-dimethyl-,(4aR,8aS)-rel-;2(1H)-Naphthalenone,4a,5,6,7,8,8a-hexahydro-4a,8a-dimethyl-,cis-;rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone;cis-9,10-Dimethyl-Δ3-octal-2-one;5524-02-7

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rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone Basic Attributes

Molecular Weight：

178.275

Exact Mass：

178.27

Characteristics

PSA：

20.2

XLogP3：

4.1

Density：

1.003±0.06 g/cm3(Predicted)

Boiling Point：

255.7±7.0 °C(Predicted)

Computed Properties

Molecular Weight:178.27
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:178.135765193
Monoisotopic Mass:178.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:277
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone

Basic Attributes
Characteristics
Computed Properties

rel-(4aR,8aS)-4a,5,6,7,8,8a-Hexahydro-4a,8a-dimethyl-2(1H)-naphthalenone

SDS

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