tricosa-2,5,8,11,14,17,20-heptayn-1-ol

C23H20O — CID 125325775

IUPACtricosa-2,5,8,11,14,17,20-heptayn-1-ol
SMILESCCC#CCC#CCC#CCC#CCC#CCC#CCC#CCO
InChIInChI=1S/C23H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2,5,8,11,14,17,20,23H2,1H3
InChIKeyCTLRMFOEHBBYFJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.75
Rot. Bonds

About tricosa-2,5,8,11,14,17,20-heptayn-1-ol

tricosa-2,5,8,11,14,17,20-heptayn-1-ol (PubChem CID 125325775) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is tricosa-2,5,8,11,14,17,20-heptayn-1-ol.

Molecular Properties

Compound Nametricosa-2,5,8,11,14,17,20-heptayn-1-ol
PubChem CID125325775
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Nametricosa-2,5,8,11,14,17,20-heptayn-1-ol
SMILESCCC#CCC#CCC#CCC#CCC#CCC#CCC#CCO
InChIInChI=1S/C23H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2,5,8,11,14,17,20,23H2,1H3
InChIKeyCTLRMFOEHBBYFJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricosa-2,5,8,11,14,17,20-heptayn-1-ol?
The IUPAC name of tricosa-2,5,8,11,14,17,20-heptayn-1-ol (CID 125325775) is tricosa-2,5,8,11,14,17,20-heptayn-1-ol.
What is the SMILES notation for tricosa-2,5,8,11,14,17,20-heptayn-1-ol?
The canonical SMILES for tricosa-2,5,8,11,14,17,20-heptayn-1-ol is CCC#CCC#CCC#CCC#CCC#CCC#CCC#CCO.
What is the InChIKey of tricosa-2,5,8,11,14,17,20-heptayn-1-ol?
The InChIKey is CTLRMFOEHBBYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2,5,8,11,14,17,20,23H2,1H3.
What are the key properties of tricosa-2,5,8,11,14,17,20-heptayn-1-ol?
tricosa-2,5,8,11,14,17,20-heptayn-1-ol has a molecular weight of 312.41 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricosa-2,5,8,11,14,17,20-heptayn-1-ol is sourced from PubChem (CID 125325775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).