2-methyltricosa-3,5-diyn-2-ol

C24H42O — CID 23238812

IUPAC2-methyltricosa-3,5-diyn-2-ol
SMILESCCCCCCCCCCCCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25/h25H,4-19H2,1-3H3
InChIKeyLMYQHJWGUYXVFK-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.03
Rot. Bonds15

About 2-methyltricosa-3,5-diyn-2-ol

2-methyltricosa-3,5-diyn-2-ol (PubChem CID 23238812) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-methyltricosa-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyltricosa-3,5-diyn-2-ol
PubChem CID23238812
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name2-methyltricosa-3,5-diyn-2-ol
SMILESCCCCCCCCCCCCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25/h25H,4-19H2,1-3H3
InChIKeyLMYQHJWGUYXVFK-UHFFFAOYSA-N
XLogP7.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.03
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyltricosa-3,5-diyn-2-ol?
The IUPAC name of 2-methyltricosa-3,5-diyn-2-ol (CID 23238812) is 2-methyltricosa-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyltricosa-3,5-diyn-2-ol?
The canonical SMILES for 2-methyltricosa-3,5-diyn-2-ol is CCCCCCCCCCCCCCCCCC#CC#CC(C)(C)O.
What is the InChIKey of 2-methyltricosa-3,5-diyn-2-ol?
The InChIKey is LMYQHJWGUYXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2,3)25/h25H,4-19H2,1-3H3.
What are the key properties of 2-methyltricosa-3,5-diyn-2-ol?
2-methyltricosa-3,5-diyn-2-ol has a molecular weight of 346.60 g/mol, XLogP of 7.03, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltricosa-3,5-diyn-2-ol is sourced from PubChem (CID 23238812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).