1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol

C13H24O — CID 90293907

IUPAC1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
SMILESCC(C)CC1(O)CCC2CCCCC21
InChIInChI=1S/C13H24O/c1-10(2)9-13(14)8-7-11-5-3-4-6-12(11)13/h10-12,14H,3-9H2,1-2H3
InChIKeyIWTNXHMMZARDIL-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.36
Rot. Bonds2

About 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol

1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol (PubChem CID 90293907) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
PubChem CID90293907
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol
SMILESCC(C)CC1(O)CCC2CCCCC21
InChIInChI=1S/C13H24O/c1-10(2)9-13(14)8-7-11-5-3-4-6-12(11)13/h10-12,14H,3-9H2,1-2H3
InChIKeyIWTNXHMMZARDIL-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-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-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol?
The IUPAC name of 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol (CID 90293907) is 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol.
What is the SMILES notation for 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol?
The canonical SMILES for 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol is CC(C)CC1(O)CCC2CCCCC21.
What is the InChIKey of 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol?
The InChIKey is IWTNXHMMZARDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)9-13(14)8-7-11-5-3-4-6-12(11)13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol?
1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,3,3a,4,5,6,7,7a-octahydroinden-1-ol is sourced from PubChem (CID 90293907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).