tetracos-13-yn-12-ol

C24H46O — CID 169488986

IUPACtetracos-13-yn-12-ol
SMILESCCCCCCCCCCC#CC(O)CCCCCCCCCCC
InChIInChI=1S/C24H46O/c1-3-5-7-9-11-13-15-17-19-21-23-24(25)22-20-18-16-14-12-10-8-6-4-2/h24-25H,3-20,22H2,1-2H3
InChIKeyHZKTUFRMXDUYMR-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.80
Rot. Bonds18

About tetracos-13-yn-12-ol

tetracos-13-yn-12-ol (PubChem CID 169488986) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is tetracos-13-yn-12-ol.

Molecular Properties

Compound Nametetracos-13-yn-12-ol
PubChem CID169488986
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Nametetracos-13-yn-12-ol
SMILESCCCCCCCCCCC#CC(O)CCCCCCCCCCC
InChIInChI=1S/C24H46O/c1-3-5-7-9-11-13-15-17-19-21-23-24(25)22-20-18-16-14-12-10-8-6-4-2/h24-25H,3-20,22H2,1-2H3
InChIKeyHZKTUFRMXDUYMR-UHFFFAOYSA-N
XLogP7.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.80
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 tetracos-13-yn-12-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

heptacos-10-yn-9-ol
CID 11058298
icosa-6,15-diyn-5-ol
CID 18710567
(16R)-16-hydroxyicos-14-ynenitrile
CID 87985240
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
non-3-yne-1,2-diol
CID 72760493
(3S)-1-trimethylsilyldocosa-1,13-diyn-3-ol
CID 102332029
7-hydroxydodec-5-ynoic acid
CID 169494808
4-hydroxytetradec-5-ynoate
CID 19734163
(6R)-1-(methoxymethoxy)dodec-4-yn-6-ol
CID 10657813
hexadec-13-en-5-yn-7-ol
CID 71428203
1-bromonon-2-yn-4-ol
CID 71364763

Frequently Asked Questions

What is the IUPAC name of tetracos-13-yn-12-ol?
The IUPAC name of tetracos-13-yn-12-ol (CID 169488986) is tetracos-13-yn-12-ol.
What is the SMILES notation for tetracos-13-yn-12-ol?
The canonical SMILES for tetracos-13-yn-12-ol is CCCCCCCCCCC#CC(O)CCCCCCCCCCC.
What is the InChIKey of tetracos-13-yn-12-ol?
The InChIKey is HZKTUFRMXDUYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-3-5-7-9-11-13-15-17-19-21-23-24(25)22-20-18-16-14-12-10-8-6-4-2/h24-25H,3-20,22H2,1-2H3.
What are the key properties of tetracos-13-yn-12-ol?
tetracos-13-yn-12-ol has a molecular weight of 350.63 g/mol, XLogP of 7.80, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracos-13-yn-12-ol is sourced from PubChem (CID 169488986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).