(E)-2-pentylnon-2-en-1-ol

C14H28O — CID 87912407

IUPAC(E)-2-pentylnon-2-en-1-ol
SMILESCCCCCC/C=C(/CO)CCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12,15H,3-11,13H2,1-2H3/b14-12+
InChIKeyUGGNQPPKUCTOQA-WYMLVPIESA-N
MW212.38 g/mol
LogP4.46
Rot. Bonds10

About (E)-2-pentylnon-2-en-1-ol

(E)-2-pentylnon-2-en-1-ol (PubChem CID 87912407) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (E)-2-pentylnon-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-pentylnon-2-en-1-ol
PubChem CID87912407
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(E)-2-pentylnon-2-en-1-ol
SMILESCCCCCC/C=C(/CO)CCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12,15H,3-11,13H2,1-2H3/b14-12+
InChIKeyUGGNQPPKUCTOQA-WYMLVPIESA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-pentylnon-2-en-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

(Z)-2-ethyldec-2-en-1-ol
CID 13479207
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
2-ethyloct-2-en-1-ol
CID 54080127
5-ethyltetradec-5-ene
CID 54129215
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
5-butylicos-4-ene
CID 54084142
(Z)-6-ethylundec-5-ene
CID 102395453
(E)-5-butyltridec-4-ene
CID 12531554
(E)-11-(5-methylhexyl)henicos-10-ene
CID 155621794

Frequently Asked Questions

What is the IUPAC name of (E)-2-pentylnon-2-en-1-ol?
The IUPAC name of (E)-2-pentylnon-2-en-1-ol (CID 87912407) is (E)-2-pentylnon-2-en-1-ol.
What is the SMILES notation for (E)-2-pentylnon-2-en-1-ol?
The canonical SMILES for (E)-2-pentylnon-2-en-1-ol is CCCCCC/C=C(/CO)CCCCC.
What is the InChIKey of (E)-2-pentylnon-2-en-1-ol?
The InChIKey is UGGNQPPKUCTOQA-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12,15H,3-11,13H2,1-2H3/b14-12+.
What are the key properties of (E)-2-pentylnon-2-en-1-ol?
(E)-2-pentylnon-2-en-1-ol has a molecular weight of 212.38 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-pentylnon-2-en-1-ol is sourced from PubChem (CID 87912407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).