(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one

C12H20O2 — CID 15715104

IUPAC(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
SMILESC[C@@]12CCC[C@](C)(O)C1CC(=O)CC2
InChIInChI=1S/C12H20O2/c1-11-5-3-6-12(2,14)10(11)8-9(13)4-7-11/h10,14H,3-8H2,1-2H3/t10?,11-,12-/m0/s1
InChIKeyMXEVPBYXRSDNCO-RAMGSTBQSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds

About (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one

(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one (PubChem CID 15715104) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
PubChem CID15715104
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
SMILESC[C@@]12CCC[C@](C)(O)C1CC(=O)CC2
InChIInChI=1S/C12H20O2/c1-11-5-3-6-12(2,14)10(11)8-9(13)4-7-11/h10,14H,3-8H2,1-2H3/t10?,11-,12-/m0/s1
InChIKeyMXEVPBYXRSDNCO-RAMGSTBQSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one with MolForge

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Related Compounds

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CID 11322384
Labdanic Acid
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Diaporol D
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3-Oxogeosmin
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5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid
CID 3430304
(3R)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
CID 11868539
(3R,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 44559305
Eutyscoparin E
CID 164611525
(1R,3R,6S,7S,8S)-3-hydroxy-2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecan-10-one
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Frequently Asked Questions

What is the IUPAC name of (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one?
The IUPAC name of (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one (CID 15715104) is (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one.
What is the SMILES notation for (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one?
The canonical SMILES for (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one is C[C@@]12CCC[C@](C)(O)C1CC(=O)CC2.
What is the InChIKey of (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one?
The InChIKey is MXEVPBYXRSDNCO-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H20O2/c1-11-5-3-6-12(2,14)10(11)8-9(13)4-7-11/h10,14H,3-8H2,1-2H3/t10?,11-,12-/m0/s1.
What are the key properties of (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one?
(4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8S)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one is sourced from PubChem (CID 15715104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).