8-(2,2-dimethylcyclopropyl)octan-1-ol

C13H26O — CID 156501168

IUPAC8-(2,2-dimethylcyclopropyl)octan-1-ol
SMILESCC1(C)CC1CCCCCCCCO
InChIInChI=1S/C13H26O/c1-13(2)11-12(13)9-7-5-3-4-6-8-10-14/h12,14H,3-11H2,1-2H3
InChIKeyQLJBQTQOQKULJK-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.76
Rot. Bonds8

About 8-(2,2-dimethylcyclopropyl)octan-1-ol

8-(2,2-dimethylcyclopropyl)octan-1-ol (PubChem CID 156501168) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 8-(2,2-dimethylcyclopropyl)octan-1-ol.

Molecular Properties

Compound Name8-(2,2-dimethylcyclopropyl)octan-1-ol
PubChem CID156501168
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name8-(2,2-dimethylcyclopropyl)octan-1-ol
SMILESCC1(C)CC1CCCCCCCCO
InChIInChI=1S/C13H26O/c1-13(2)11-12(13)9-7-5-3-4-6-8-10-14/h12,14H,3-11H2,1-2H3
InChIKeyQLJBQTQOQKULJK-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(2,2-dimethylcyclopropyl)octan-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 8-(2,2-dimethylcyclopropyl)octan-1-ol?
The IUPAC name of 8-(2,2-dimethylcyclopropyl)octan-1-ol (CID 156501168) is 8-(2,2-dimethylcyclopropyl)octan-1-ol.
What is the SMILES notation for 8-(2,2-dimethylcyclopropyl)octan-1-ol?
The canonical SMILES for 8-(2,2-dimethylcyclopropyl)octan-1-ol is CC1(C)CC1CCCCCCCCO.
What is the InChIKey of 8-(2,2-dimethylcyclopropyl)octan-1-ol?
The InChIKey is QLJBQTQOQKULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-13(2)11-12(13)9-7-5-3-4-6-8-10-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 8-(2,2-dimethylcyclopropyl)octan-1-ol?
8-(2,2-dimethylcyclopropyl)octan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylcyclopropyl)octan-1-ol is sourced from PubChem (CID 156501168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).