2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol

C10H16O — CID 89341241

IUPAC2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol
SMILESOCC1CC2CC=CCC2C1
InChIInChI=1S/C10H16O/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-2,8-11H,3-7H2
InChIKeyUBUKLUFOOKMSEI-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol

2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol (PubChem CID 89341241) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol.

Molecular Properties

Compound Name2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol
PubChem CID89341241
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol
SMILESOCC1CC2CC=CCC2C1
InChIInChI=1S/C10H16O/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-2,8-11H,3-7H2
InChIKeyUBUKLUFOOKMSEI-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol 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 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol?
The IUPAC name of 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol (CID 89341241) is 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol.
What is the SMILES notation for 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol?
The canonical SMILES for 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol is OCC1CC2CC=CCC2C1.
What is the InChIKey of 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol?
The InChIKey is UBUKLUFOOKMSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-2,8-11H,3-7H2.
What are the key properties of 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol?
2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,7,7a-hexahydro-1H-inden-2-ylmethanol is sourced from PubChem (CID 89341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).