4-ethyl-2-pentylheptan-1-ol

C14H30O — CID 23315856

IUPAC4-ethyl-2-pentylheptan-1-ol
SMILESCCCCCC(CO)CC(CC)CCC
InChIInChI=1S/C14H30O/c1-4-7-8-10-14(12-15)11-13(6-3)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyAAZNSFIBMRRQKL-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds10

About 4-ethyl-2-pentylheptan-1-ol

4-ethyl-2-pentylheptan-1-ol (PubChem CID 23315856) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 4-ethyl-2-pentylheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-pentylheptan-1-ol
PubChem CID23315856
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name4-ethyl-2-pentylheptan-1-ol
SMILESCCCCCC(CO)CC(CC)CCC
InChIInChI=1S/C14H30O/c1-4-7-8-10-14(12-15)11-13(6-3)9-5-2/h13-15H,4-12H2,1-3H3
InChIKeyAAZNSFIBMRRQKL-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-2-pentylheptan-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

4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
2-ethyldodecan-1-ol
CID 545553
2-propylheptadecan-1-ol
CID 137441509
(2S)-2-propyldecan-1-ol
CID 10176571
2-propyldodecan-1-ol
CID 14438908
2-(2-pentyloctyl)butane-1,4-diol
CID 174851829
9-ethyl-7-pentylhexadecane
CID 91283125
9-ethyl-11-heptylnonadecane
CID 90975246
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
2-(2-methylpropyl)heptan-1-ol
CID 66058548

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pentylheptan-1-ol?
The IUPAC name of 4-ethyl-2-pentylheptan-1-ol (CID 23315856) is 4-ethyl-2-pentylheptan-1-ol.
What is the SMILES notation for 4-ethyl-2-pentylheptan-1-ol?
The canonical SMILES for 4-ethyl-2-pentylheptan-1-ol is CCCCCC(CO)CC(CC)CCC.
What is the InChIKey of 4-ethyl-2-pentylheptan-1-ol?
The InChIKey is AAZNSFIBMRRQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-4-7-8-10-14(12-15)11-13(6-3)9-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-2-pentylheptan-1-ol?
4-ethyl-2-pentylheptan-1-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pentylheptan-1-ol is sourced from PubChem (CID 23315856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).