2-pentylnon-2-en-1-ol

C14H28O — CID 53424761

IUPAC2-pentylnon-2-en-1-ol
SMILESCCCCCCC=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
InChIKeyUGGNQPPKUCTOQA-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.46
Rot. Bonds10

About 2-pentylnon-2-en-1-ol

2-pentylnon-2-en-1-ol (PubChem CID 53424761) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-pentylnon-2-en-1-ol.

Molecular Properties

Compound Name2-pentylnon-2-en-1-ol
PubChem CID53424761
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-pentylnon-2-en-1-ol
SMILESCCCCCCC=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
InChIKeyUGGNQPPKUCTOQA-UHFFFAOYSA-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 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

Frequently Asked Questions

What is the IUPAC name of 2-pentylnon-2-en-1-ol?
The IUPAC name of 2-pentylnon-2-en-1-ol (CID 53424761) is 2-pentylnon-2-en-1-ol.
What is the SMILES notation for 2-pentylnon-2-en-1-ol?
The canonical SMILES for 2-pentylnon-2-en-1-ol is CCCCCCC=C(CO)CCCCC.
What is the InChIKey of 2-pentylnon-2-en-1-ol?
The InChIKey is UGGNQPPKUCTOQA-UHFFFAOYSA-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.
What are the key properties of 2-pentylnon-2-en-1-ol?
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 2-pentylnon-2-en-1-ol is sourced from PubChem (CID 53424761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).