4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

C12H20O — CID 15768058

IUPAC4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESCC1CCCC2(C)CCC(O)C=C12
InChIInChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-10,13H,3-7H2,1-2H3
InChIKeyAMLXATDBQQQXME-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.89
Rot. Bonds

About 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol

4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (PubChem CID 15768058) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.

Molecular Properties

Compound Name4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
PubChem CID15768058
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
SMILESCC1CCCC2(C)CCC(O)C=C12
InChIInChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-10,13H,3-7H2,1-2H3
InChIKeyAMLXATDBQQQXME-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The IUPAC name of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol (CID 15768058) is 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol.
What is the SMILES notation for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The canonical SMILES for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is CC1CCCC2(C)CCC(O)C=C12.
What is the InChIKey of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
The InChIKey is AMLXATDBQQQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol?
4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol is sourced from PubChem (CID 15768058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).