2-methyloctadeca-3,5-diyn-2-ol

C19H32O — CID 23238811

IUPAC2-methyloctadeca-3,5-diyn-2-ol
SMILESCCCCCCCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C19H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h20H,4-14H2,1-3H3
InChIKeyPTVSNNLGHPCLTL-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.08
Rot. Bonds10

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

2-methyloctadeca-3,5-diyn-2-ol (PubChem CID 23238811) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-methyloctadeca-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyloctadeca-3,5-diyn-2-ol
PubChem CID23238811
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name2-methyloctadeca-3,5-diyn-2-ol
SMILESCCCCCCCCCCCCC#CC#CC(C)(C)O
InChIInChI=1S/C19H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h20H,4-14H2,1-3H3
InChIKeyPTVSNNLGHPCLTL-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.08
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-methyloctadeca-3,5-diyn-2-ol?
The IUPAC name of 2-methyloctadeca-3,5-diyn-2-ol (CID 23238811) is 2-methyloctadeca-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyloctadeca-3,5-diyn-2-ol?
The canonical SMILES for 2-methyloctadeca-3,5-diyn-2-ol is CCCCCCCCCCCCC#CC#CC(C)(C)O.
What is the InChIKey of 2-methyloctadeca-3,5-diyn-2-ol?
The InChIKey is PTVSNNLGHPCLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h20H,4-14H2,1-3H3.
What are the key properties of 2-methyloctadeca-3,5-diyn-2-ol?
2-methyloctadeca-3,5-diyn-2-ol has a molecular weight of 276.46 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctadeca-3,5-diyn-2-ol is sourced from PubChem (CID 23238811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).