(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

C12H22O — CID 3032717

IUPAC(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESC[C@H]1CCCC2(C)CCCC[C@]12O
InChIInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11?,12-/m0/s1
InChIKeyJLPUXFOGCDVKGO-PRWSFJOGSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds

About (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol

(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol (PubChem CID 3032717) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol.

Molecular Properties

Compound Name(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
PubChem CID3032717
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
SMILESC[C@H]1CCCC2(C)CCCC[C@]12O
InChIInChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11?,12-/m0/s1
InChIKeyJLPUXFOGCDVKGO-PRWSFJOGSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol with MolForge

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Related Compounds

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CID 130369263
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
CID 163112005
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(4aR,8aS)-8a-methyl-4-nitro-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 134863664
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162816105
1,2,2,3-tetramethylcyclohexan-1-ol;titanium
CID 151433332
(4S)-4-methylspiro[4.4]nonane
CID 148967518
methanol;1,1,2-trimethylcyclohexane
CID 70292509
1-(1,2-dimethylcyclohexyl)-1,3-dimethylcyclohexane
CID 173230586
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
CID 123603373
CID 123603373
sodium 1-hydroxy-2-methylcyclopentane-1-sulfonate
CID 103574475

Frequently Asked Questions

What is the IUPAC name of (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
The IUPAC name of (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol (CID 3032717) is (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol.
What is the SMILES notation for (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
The canonical SMILES for (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol is C[C@H]1CCCC2(C)CCCC[C@]12O.
What is the InChIKey of (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
The InChIKey is JLPUXFOGCDVKGO-PRWSFJOGSA-N. The full InChI is InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11?,12-/m0/s1.
What are the key properties of (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol?
(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol is sourced from PubChem (CID 3032717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).