1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol

C15H26O — CID 91747158

IUPAC1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol
SMILESC=C(C)C1CCC(C)C2(O)CCC(C)C2C1
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)14(15)9-13/h11-14,16H,1,5-9H2,2-4H3
InChIKeyYCHDRKAWJJJVIH-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol

1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol (PubChem CID 91747158) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol.

Molecular Properties

Compound Name1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol
PubChem CID91747158
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol
SMILESC=C(C)C1CCC(C)C2(O)CCC(C)C2C1
InChIInChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)14(15)9-13/h11-14,16H,1,5-9H2,2-4H3
InChIKeyYCHDRKAWJJJVIH-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-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 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol?
The IUPAC name of 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol (CID 91747158) is 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol.
What is the SMILES notation for 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol?
The canonical SMILES for 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol is C=C(C)C1CCC(C)C2(O)CCC(C)C2C1.
What is the InChIKey of 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol?
The InChIKey is YCHDRKAWJJJVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)14(15)9-13/h11-14,16H,1,5-9H2,2-4H3.
What are the key properties of 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol?
1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-azulen-3a-ol is sourced from PubChem (CID 91747158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).