1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol

C15H26O — CID 162973961

IUPAC1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol
SMILESCC1=CCC(C(C)C)CC2C1CCC2(C)O
InChIInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h5,10,12-14,16H,6-9H2,1-4H3
InChIKeyUQBJCGOOKGDNGP-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol

1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol (PubChem CID 162973961) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol.

Molecular Properties

Compound Name1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol
PubChem CID162973961
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol
SMILESCC1=CCC(C(C)C)CC2C1CCC2(C)O
InChIInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h5,10,12-14,16H,6-9H2,1-4H3
InChIKeyUQBJCGOOKGDNGP-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-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-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-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol?
The IUPAC name of 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol (CID 162973961) is 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol.
What is the SMILES notation for 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol?
The canonical SMILES for 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol is CC1=CCC(C(C)C)CC2C1CCC2(C)O.
What is the InChIKey of 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol?
The InChIKey is UQBJCGOOKGDNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h5,10,12-14,16H,6-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol?
1,4-dimethyl-7-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-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-propan-2-yl-3,3a,6,7,8,8a-hexahydro-2H-azulen-1-ol is sourced from PubChem (CID 162973961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).