(4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol

C11H18O — CID 131176066

IUPAC(4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
SMILESCC1=CC[C@@H]2C(O)CCC[C@@H]2C1
InChIInChI=1S/C11H18O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5,9-12H,2-4,6-7H2,1H3/t9-,10+,11?/m1/s1
InChIKeyFXOOQAOFTOCFBY-JKIOLJMWSA-N
MW166.26 g/mol
LogP2.50
Rot. Bonds

About (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol

(4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol (PubChem CID 131176066) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name(4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
PubChem CID131176066
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol
SMILESCC1=CC[C@@H]2C(O)CCC[C@@H]2C1
InChIInChI=1S/C11H18O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5,9-12H,2-4,6-7H2,1H3/t9-,10+,11?/m1/s1
InChIKeyFXOOQAOFTOCFBY-JKIOLJMWSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol with MolForge

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Related Compounds

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CID 54106302
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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol?
The IUPAC name of (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol (CID 131176066) is (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol.
What is the SMILES notation for (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol?
The canonical SMILES for (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol is CC1=CC[C@@H]2C(O)CCC[C@@H]2C1.
What is the InChIKey of (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol?
The InChIKey is FXOOQAOFTOCFBY-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H18O/c1-8-5-6-10-9(7-8)3-2-4-11(10)12/h5,9-12H,2-4,6-7H2,1H3/t9-,10+,11?/m1/s1.
What are the key properties of (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol?
(4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-ol is sourced from PubChem (CID 131176066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).