2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol

C16H29NO — CID 82750366

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
SMILESOC1CCCCCCC1N1CCC2CCCCC21
InChIInChI=1S/C16H29NO/c18-16-10-4-2-1-3-9-15(16)17-12-11-13-7-5-6-8-14(13)17/h13-16,18H,1-12H2
InChIKeyCHKCCUOMJGCXOS-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.33
Rot. Bonds1

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol (PubChem CID 82750366) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
PubChem CID82750366
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
SMILESOC1CCCCCCC1N1CCC2CCCCC21
InChIInChI=1S/C16H29NO/c18-16-10-4-2-1-3-9-15(16)17-12-11-13-7-5-6-8-14(13)17/h13-16,18H,1-12H2
InChIKeyCHKCCUOMJGCXOS-UHFFFAOYSA-N
XLogP3.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-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 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol (CID 82750366) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol is OC1CCCCCCC1N1CCC2CCCCC21.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol?
The InChIKey is CHKCCUOMJGCXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c18-16-10-4-2-1-3-9-15(16)17-12-11-13-7-5-6-8-14(13)17/h13-16,18H,1-12H2.
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol is sourced from PubChem (CID 82750366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).