6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol

C11H18O2 — CID 85287730

IUPAC6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
SMILESCC1(O)CCC2CCC(CO)=CC21
InChIInChI=1S/C11H18O2/c1-11(13)5-4-9-3-2-8(7-12)6-10(9)11/h6,9-10,12-13H,2-5,7H2,1H3
InChIKeyZQKXAIOFIHJASL-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.48
Rot. Bonds1

About 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol

6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol (PubChem CID 85287730) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
PubChem CID85287730
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
SMILESCC1(O)CCC2CCC(CO)=CC21
InChIInChI=1S/C11H18O2/c1-11(13)5-4-9-3-2-8(7-12)6-10(9)11/h6,9-10,12-13H,2-5,7H2,1H3
InChIKeyZQKXAIOFIHJASL-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-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 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
The IUPAC name of 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol (CID 85287730) is 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol.
What is the SMILES notation for 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
The canonical SMILES for 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol is CC1(O)CCC2CCC(CO)=CC21.
What is the InChIKey of 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
The InChIKey is ZQKXAIOFIHJASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(13)5-4-9-3-2-8(7-12)6-10(9)11/h6,9-10,12-13H,2-5,7H2,1H3.
What are the key properties of 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol?
6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol is sourced from PubChem (CID 85287730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).