icosa-15,18-diyn-1-ol

C20H34O — CID 160765539

IUPACicosa-15,18-diyn-1-ol
SMILESCC#CCC#CCCCCCCCCCCCCCCO
InChIInChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,4,7-20H2,1H3
InChIKeyXQHQOKJDNSFYCM-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.47
Rot. Bonds13

About icosa-15,18-diyn-1-ol

icosa-15,18-diyn-1-ol (PubChem CID 160765539) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is icosa-15,18-diyn-1-ol.

Molecular Properties

Compound Nameicosa-15,18-diyn-1-ol
PubChem CID160765539
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Nameicosa-15,18-diyn-1-ol
SMILESCC#CCC#CCCCCCCCCCCCCCCO
InChIInChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,4,7-20H2,1H3
InChIKeyXQHQOKJDNSFYCM-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.47
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'}

Analyze icosa-15,18-diyn-1-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

nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
undec-7-yn-1-ol
CID 10909966
non-6-yn-1-ol
CID 3017913
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
henicosa-3,6,9-triyn-1-ol
CID 23255046
non-2-yne-1,9-diol
CID 10997284
nona-5,7-diyn-1-ol
CID 13293576
undeca-2,9-diyne
CID 13351096
nona-2,5-diyne-1,9-diol
CID 175119403
undec-5-yn-1-ol
CID 13113234
16-hydroxyhexadeca-5,8,11-triynoic acid
CID 123580508

Frequently Asked Questions

What is the IUPAC name of icosa-15,18-diyn-1-ol?
The IUPAC name of icosa-15,18-diyn-1-ol (CID 160765539) is icosa-15,18-diyn-1-ol.
What is the SMILES notation for icosa-15,18-diyn-1-ol?
The canonical SMILES for icosa-15,18-diyn-1-ol is CC#CCC#CCCCCCCCCCCCCCCO.
What is the InChIKey of icosa-15,18-diyn-1-ol?
The InChIKey is XQHQOKJDNSFYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,4,7-20H2,1H3.
What are the key properties of icosa-15,18-diyn-1-ol?
icosa-15,18-diyn-1-ol has a molecular weight of 290.49 g/mol, XLogP of 5.47, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-15,18-diyn-1-ol is sourced from PubChem (CID 160765539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).