undec-5-yn-2-ol

C11H20O — CID 86254301

IUPACundec-5-yn-2-ol
SMILESCCCCCC#CCCC(C)O
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-6,9-10H2,1-2H3
InChIKeyYTPQIQSYYPPQBY-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds5

About undec-5-yn-2-ol

undec-5-yn-2-ol (PubChem CID 86254301) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is undec-5-yn-2-ol.

Molecular Properties

Compound Nameundec-5-yn-2-ol
PubChem CID86254301
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameundec-5-yn-2-ol
SMILESCCCCCC#CCCC(C)O
InChIInChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-6,9-10H2,1-2H3
InChIKeyYTPQIQSYYPPQBY-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze undec-5-yn-2-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

nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
(2R)-heptan-2-ol
CID 6992611
henicos-8-yne
CID 22224321
18,21-dimethyloctacos-12-yne
CID 22224150
(2R)-dec-3-yn-2-ol
CID 129384454
12-methylpentadec-6-yne
CID 142980159
(2S)-heptadec-3-yn-2-ol
CID 58473313
6-propan-2-ylicos-9-yne
CID 22223793
(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609

Frequently Asked Questions

What is the IUPAC name of undec-5-yn-2-ol?
The IUPAC name of undec-5-yn-2-ol (CID 86254301) is undec-5-yn-2-ol.
What is the SMILES notation for undec-5-yn-2-ol?
The canonical SMILES for undec-5-yn-2-ol is CCCCCC#CCCC(C)O.
What is the InChIKey of undec-5-yn-2-ol?
The InChIKey is YTPQIQSYYPPQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-6,9-10H2,1-2H3.
What are the key properties of undec-5-yn-2-ol?
undec-5-yn-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undec-5-yn-2-ol is sourced from PubChem (CID 86254301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).