2-(2-methylpropyl)heptan-1-ol

C11H24O — CID 66058548

IUPAC2-(2-methylpropyl)heptan-1-ol
SMILESCCCCCC(CO)CC(C)C
InChIInChI=1S/C11H24O/c1-4-5-6-7-11(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyFPSXRJBJSSFUMQ-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds7

About 2-(2-methylpropyl)heptan-1-ol

2-(2-methylpropyl)heptan-1-ol (PubChem CID 66058548) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 2-(2-methylpropyl)heptan-1-ol.

Molecular Properties

Compound Name2-(2-methylpropyl)heptan-1-ol
PubChem CID66058548
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name2-(2-methylpropyl)heptan-1-ol
SMILESCCCCCC(CO)CC(C)C
InChIInChI=1S/C11H24O/c1-4-5-6-7-11(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3
InChIKeyFPSXRJBJSSFUMQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-methylpropyl)heptan-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

Related Compounds

2-(2-methylpropyl)undecan-1-ol
CID 66059386
2-pentyldodecan-1-ol
CID 23125768
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-pentadecylpropane-1,3-diol
CID 91351654
2-nonylundecan-1-ol
CID 14397092
2-(2-pentyloctyl)butane-1,4-diol
CID 174851829
(2R)-2-heptylbutane-1,4-diol
CID 129405629
(2S)-2-octylbutane-1,4-diol
CID 71417147
4-ethyl-2-methyldecane
CID 19893744

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)heptan-1-ol?
The IUPAC name of 2-(2-methylpropyl)heptan-1-ol (CID 66058548) is 2-(2-methylpropyl)heptan-1-ol.
What is the SMILES notation for 2-(2-methylpropyl)heptan-1-ol?
The canonical SMILES for 2-(2-methylpropyl)heptan-1-ol is CCCCCC(CO)CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)heptan-1-ol?
The InChIKey is FPSXRJBJSSFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-4-5-6-7-11(9-12)8-10(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)heptan-1-ol?
2-(2-methylpropyl)heptan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)heptan-1-ol is sourced from PubChem (CID 66058548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).