heptadec-16-en-4,6-diyn-8-ol

C17H26O — CID 162872076

IUPACheptadec-16-en-4,6-diyn-8-ol
SMILESC=CCCCCCCCC(O)C#CC#CCCC
InChIInChI=1S/C17H26O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3,17-18H,1,4-7,9-10,12,14,16H2,2H3
InChIKeyAYXCDALAXNSBPZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.07
Rot. Bonds9

About heptadec-16-en-4,6-diyn-8-ol

heptadec-16-en-4,6-diyn-8-ol (PubChem CID 162872076) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is heptadec-16-en-4,6-diyn-8-ol.

Molecular Properties

Compound Nameheptadec-16-en-4,6-diyn-8-ol
PubChem CID162872076
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Nameheptadec-16-en-4,6-diyn-8-ol
SMILESC=CCCCCCCCC(O)C#CC#CCCC
InChIInChI=1S/C17H26O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3,17-18H,1,4-7,9-10,12,14,16H2,2H3
InChIKeyAYXCDALAXNSBPZ-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze heptadec-16-en-4,6-diyn-8-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

(8S,9R,10R)-heptadec-1-en-11,13-diyne-8,9,10-triol
CID 162905803
(8S,9R,10S)-heptadec-1-en-11,13-diyne-8,9,10-triol
CID 71351784
heptadec-16-en-4,6-diyne-3,9,10-triol
CID 75972014
heptadeca-4,6-diyne-1,8-diol
CID 175955056
(6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 162886871
(Z,6R)-tricos-16-en-2,4-diyne-1,6-diol
CID 23425024
(8Z,10S)-10-methylheptadeca-1,8-dien-11,13-diyne
CID 162916533
10-methylheptadeca-1,8-dien-11,13-diyne
CID 162916532
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
octadec-1-ene;propane-1,2,3-triol
CID 87523216
(Z,6R)-1-[tert-butyl(dimethyl)silyl]oxypentacos-16-en-2,4-diyn-6-ol
CID 11179314

Frequently Asked Questions

What is the IUPAC name of heptadec-16-en-4,6-diyn-8-ol?
The IUPAC name of heptadec-16-en-4,6-diyn-8-ol (CID 162872076) is heptadec-16-en-4,6-diyn-8-ol.
What is the SMILES notation for heptadec-16-en-4,6-diyn-8-ol?
The canonical SMILES for heptadec-16-en-4,6-diyn-8-ol is C=CCCCCCCCC(O)C#CC#CCCC.
What is the InChIKey of heptadec-16-en-4,6-diyn-8-ol?
The InChIKey is AYXCDALAXNSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3,17-18H,1,4-7,9-10,12,14,16H2,2H3.
What are the key properties of heptadec-16-en-4,6-diyn-8-ol?
heptadec-16-en-4,6-diyn-8-ol has a molecular weight of 246.39 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-16-en-4,6-diyn-8-ol is sourced from PubChem (CID 162872076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).