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

C12H20O2 — CID 130149139

IUPAC5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCC12CCCC(O)C1(C)CCCC2=O
InChIInChI=1S/C12H20O2/c1-11-7-3-6-10(14)12(11,2)8-4-5-9(11)13/h9,13H,3-8H2,1-2H3
InChIKeyISYVRXMKUIFLPY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds

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

5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (PubChem CID 130149139) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
PubChem CID130149139
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
SMILESCC12CCCC(O)C1(C)CCCC2=O
InChIInChI=1S/C12H20O2/c1-11-7-3-6-10(14)12(11,2)8-4-5-9(11)13/h9,13H,3-8H2,1-2H3
InChIKeyISYVRXMKUIFLPY-UHFFFAOYSA-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

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Related Compounds

3-hydroxy-2,2-dimethylcyclooctan-1-one
CID 86182604
(4S,5S)-4-hydroxyspiro[4.7]dodecan-12-one
CID 15438101
(4R,5S)-4-hydroxyspiro[4.6]undecan-11-one
CID 130756206
[(2S)-2-[(1R,3aR,7aR)-3a,7a-dimethyl-4-oxo-1,2,3,5,6,7-hexahydroinden-1-yl]propyl] acetate
CID 78357896
(2S)-2-tert-butyl-2-methylcyclopentan-1-one
CID 58159062
(6S)-11-hydroxyspiro[5.5]undecan-5-one
CID 157212438
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
(7aR)-3a,7a-dimethyl-1-propan-2-yl-1,2,3,5,6,7-hexahydroinden-4-one;(3S)-2,3-dimethylpent-4-en-2-ol;ethane
CID 143056338
(5S,6R)-5-hydroxyspiro[5.6]dodecan-12-one
CID 25240702
(4aS,5S,6S,8aR)-4a,6-dihydroxy-8a-methyl-5-nitro-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 101247533
(3aR,7aR)-7a-hydroxy-3a-methyl-3,5,6,7-tetrahydro-1H-indene-2,4-dione
CID 11105987
2,3-dihydroxy-3-methylcyclohexan-1-one
CID 85393180

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The IUPAC name of 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one (CID 130149139) is 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The canonical SMILES for 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is CC12CCCC(O)C1(C)CCCC2=O.
What is the InChIKey of 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
The InChIKey is ISYVRXMKUIFLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-11-7-3-6-10(14)12(11,2)8-4-5-9(11)13/h9,13H,3-8H2,1-2H3.
What are the key properties of 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one?
5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-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 5-hydroxy-4a,8a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one is sourced from PubChem (CID 130149139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).