heptadec-8-yn-1-ol

C17H32O — CID 10491053

IUPACheptadec-8-yn-1-ol
SMILESCCCCCCCCC#CCCCCCCCO
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-8,11-17H2,1H3
InChIKeyJUUQWFGPSKCQJV-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.07
Rot. Bonds12

About heptadec-8-yn-1-ol

heptadec-8-yn-1-ol (PubChem CID 10491053) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is heptadec-8-yn-1-ol.

Molecular Properties

Compound Nameheptadec-8-yn-1-ol
PubChem CID10491053
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Nameheptadec-8-yn-1-ol
SMILESCCCCCCCCC#CCCCCCCCO
InChIInChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-8,11-17H2,1H3
InChIKeyJUUQWFGPSKCQJV-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.07
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

tetradec-5-yn-1-ol
CID 15730841
undec-5-yn-1-ol
CID 13113234
undec-7-yn-1-ol
CID 10909966
pentadeca-5,10-diyn-1-ol
CID 560933
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
henicos-8-yne
CID 22224321
hexadeca-9,11-diyn-1-ol
CID 24975633
octadec-2-yn-1-ol
CID 2825194
non-6-yn-1-ol
CID 3017913
hexadec-2-yn-1-ol
CID 11010038
henicosa-3,6,9-triyn-1-ol
CID 23255046

Frequently Asked Questions

What is the IUPAC name of heptadec-8-yn-1-ol?
The IUPAC name of heptadec-8-yn-1-ol (CID 10491053) is heptadec-8-yn-1-ol.
What is the SMILES notation for heptadec-8-yn-1-ol?
The canonical SMILES for heptadec-8-yn-1-ol is CCCCCCCCC#CCCCCCCCO.
What is the InChIKey of heptadec-8-yn-1-ol?
The InChIKey is JUUQWFGPSKCQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-8,11-17H2,1H3.
What are the key properties of heptadec-8-yn-1-ol?
heptadec-8-yn-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.07, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-8-yn-1-ol is sourced from PubChem (CID 10491053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).