octadec-2-yn-1-ol

C18H34O — CID 2825194

IUPACoctadec-2-yn-1-ol
SMILESCCCCCCCCCCCCCCCC#CCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-15,18H2,1H3
InChIKeyGQKHFXCFJRRZDL-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.46
Rot. Bonds13

About octadec-2-yn-1-ol

octadec-2-yn-1-ol (PubChem CID 2825194) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is octadec-2-yn-1-ol.

Molecular Properties

Compound Nameoctadec-2-yn-1-ol
PubChem CID2825194
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Nameoctadec-2-yn-1-ol
SMILESCCCCCCCCCCCCCCCC#CCO
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-15,18H2,1H3
InChIKeyGQKHFXCFJRRZDL-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.46
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'}

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Related Compounds

hexadec-2-yn-1-ol
CID 11010038
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
henicos-8-yne
CID 22224321
dodeca-2,4-diyn-1-ol
CID 11816199
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
undec-5-yn-1-ol
CID 13113234
heptadeca-4,7,10-triyne
CID 171715223
carbonic acid;tetradec-7-yne
CID 90353944
henicosa-3,6,9-triyn-1-ol
CID 23255046

Frequently Asked Questions

What is the IUPAC name of octadec-2-yn-1-ol?
The IUPAC name of octadec-2-yn-1-ol (CID 2825194) is octadec-2-yn-1-ol.
What is the SMILES notation for octadec-2-yn-1-ol?
The canonical SMILES for octadec-2-yn-1-ol is CCCCCCCCCCCCCCCC#CCO.
What is the InChIKey of octadec-2-yn-1-ol?
The InChIKey is GQKHFXCFJRRZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-15,18H2,1H3.
What are the key properties of octadec-2-yn-1-ol?
octadec-2-yn-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.46, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-2-yn-1-ol is sourced from PubChem (CID 2825194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).