hexadeca-9,11-diyn-1-ol

C16H26O — CID 24975633

IUPAChexadeca-9,11-diyn-1-ol
SMILESCCCCC#CC#CCCCCCCCCO
InChIInChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-4,9-16H2,1H3
InChIKeyRNEYMJBTSYVVBI-UHFFFAOYSA-N
MW234.38 g/mol
LogP3.91
Rot. Bonds9

About hexadeca-9,11-diyn-1-ol

hexadeca-9,11-diyn-1-ol (PubChem CID 24975633) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is hexadeca-9,11-diyn-1-ol.

Molecular Properties

Compound Namehexadeca-9,11-diyn-1-ol
PubChem CID24975633
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Namehexadeca-9,11-diyn-1-ol
SMILESCCCCC#CC#CCCCCCCCCO
InChIInChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-4,9-16H2,1H3
InChIKeyRNEYMJBTSYVVBI-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 53.91
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

heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
pentadeca-5,10-diyn-1-ol
CID 560933
undeca-3,5-diyn-1-ol
CID 15306342
undec-7-yn-1-ol
CID 10909966
undec-5-yn-1-ol
CID 13113234
dodeca-2,4-diyn-1-ol
CID 11816199
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
nona-5,7-diyn-1-ol
CID 13293576
tetrakis(octadecan-1-ol);zirconium
CID 23448394
non-6-yn-1-ol
CID 3017913
bis(hexan-1-ol);zirconium;dihydrate
CID 175523338

Frequently Asked Questions

What is the IUPAC name of hexadeca-9,11-diyn-1-ol?
The IUPAC name of hexadeca-9,11-diyn-1-ol (CID 24975633) is hexadeca-9,11-diyn-1-ol.
What is the SMILES notation for hexadeca-9,11-diyn-1-ol?
The canonical SMILES for hexadeca-9,11-diyn-1-ol is CCCCC#CC#CCCCCCCCCO.
What is the InChIKey of hexadeca-9,11-diyn-1-ol?
The InChIKey is RNEYMJBTSYVVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-4,9-16H2,1H3.
What are the key properties of hexadeca-9,11-diyn-1-ol?
hexadeca-9,11-diyn-1-ol has a molecular weight of 234.38 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadeca-9,11-diyn-1-ol is sourced from PubChem (CID 24975633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).