2,2,3-trimethylhenicos-4-yn-3-ol

C24H46O — CID 12021388

IUPAC2,2,3-trimethylhenicos-4-yn-3-ol
SMILESCCCCCCCCCCCCCCCCC#CC(C)(O)C(C)(C)C
InChIInChI=1S/C24H46O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(5,25)23(2,3)4/h25H,6-20H2,1-5H3
InChIKeyFZXMKBHOILLYDB-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.66
Rot. Bonds14

About 2,2,3-trimethylhenicos-4-yn-3-ol

2,2,3-trimethylhenicos-4-yn-3-ol (PubChem CID 12021388) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 2,2,3-trimethylhenicos-4-yn-3-ol.

Molecular Properties

Compound Name2,2,3-trimethylhenicos-4-yn-3-ol
PubChem CID12021388
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name2,2,3-trimethylhenicos-4-yn-3-ol
SMILESCCCCCCCCCCCCCCCCC#CC(C)(O)C(C)(C)C
InChIInChI=1S/C24H46O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(5,25)23(2,3)4/h25H,6-20H2,1-5H3
InChIKeyFZXMKBHOILLYDB-UHFFFAOYSA-N
XLogP7.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.66
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 2,2,3-trimethylhenicos-4-yn-3-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

3-Hydroxy-3-methyl-4-heneicosyne
CID 12021387
2,15,15-Trimethylhexadec-4-yn-2-ol
CID 151650895
8-Tert-butylpentadeca-6,9-diyn-8-OL
CID 71370532

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylhenicos-4-yn-3-ol?
The IUPAC name of 2,2,3-trimethylhenicos-4-yn-3-ol (CID 12021388) is 2,2,3-trimethylhenicos-4-yn-3-ol.
What is the SMILES notation for 2,2,3-trimethylhenicos-4-yn-3-ol?
The canonical SMILES for 2,2,3-trimethylhenicos-4-yn-3-ol is CCCCCCCCCCCCCCCCC#CC(C)(O)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylhenicos-4-yn-3-ol?
The InChIKey is FZXMKBHOILLYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(5,25)23(2,3)4/h25H,6-20H2,1-5H3.
What are the key properties of 2,2,3-trimethylhenicos-4-yn-3-ol?
2,2,3-trimethylhenicos-4-yn-3-ol has a molecular weight of 350.63 g/mol, XLogP of 7.66, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylhenicos-4-yn-3-ol is sourced from PubChem (CID 12021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).