4-ethylhept-5-yn-1-ol

C9H16O — CID 130152282

IUPAC4-ethylhept-5-yn-1-ol
SMILESCC#CC(CC)CCCO
InChIInChI=1S/C9H16O/c1-3-6-9(4-2)7-5-8-10/h9-10H,4-5,7-8H2,1-2H3
InChIKeyACYWCHNOQQMIHU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.81
Rot. Bonds4

About 4-ethylhept-5-yn-1-ol

4-ethylhept-5-yn-1-ol (PubChem CID 130152282) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethylhept-5-yn-1-ol.

Molecular Properties

Compound Name4-ethylhept-5-yn-1-ol
PubChem CID130152282
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-ethylhept-5-yn-1-ol
SMILESCC#CC(CC)CCCO
InChIInChI=1S/C9H16O/c1-3-6-9(4-2)7-5-8-10/h9-10H,4-5,7-8H2,1-2H3
InChIKeyACYWCHNOQQMIHU-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-6-methoxyhex-2-yne
CID 178086541
2-(4,7-diethyldec-5-ynoxy)ethanol
CID 151593123
oct-5-yne-1,4-diol
CID 23328891
hexadec-12-yne-1,11,14-triol
CID 177314687
(3R)-3-ethylhexane-1,6-diol
CID 118889856
(4S,6S)-4,6-dimethyloctan-1-ol
CID 92950690
1-bromo-3-ethylhept-1-yne
CID 170897896
2-ethyl-N-iodopent-3-yn-1-amine
CID 141086780
3,6-diethylnonane-1,9-diol
CID 19787583
(4R,8S)-4,8-dimethyldecan-1-ol
CID 121007505
4-ethyl-5-methylhexan-1-ol
CID 87192920
4,7-dimethylnonan-1-ol
CID 87272409

Frequently Asked Questions

What is the IUPAC name of 4-ethylhept-5-yn-1-ol?
The IUPAC name of 4-ethylhept-5-yn-1-ol (CID 130152282) is 4-ethylhept-5-yn-1-ol.
What is the SMILES notation for 4-ethylhept-5-yn-1-ol?
The canonical SMILES for 4-ethylhept-5-yn-1-ol is CC#CC(CC)CCCO.
What is the InChIKey of 4-ethylhept-5-yn-1-ol?
The InChIKey is ACYWCHNOQQMIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-6-9(4-2)7-5-8-10/h9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 4-ethylhept-5-yn-1-ol?
4-ethylhept-5-yn-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhept-5-yn-1-ol is sourced from PubChem (CID 130152282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).