5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol

C24H46O2 — CID 102249514

IUPAC5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol
SMILESCCCCC(CC)CCC(C)(O)C#CC(C)(O)CCC(CC)CCCC
InChIInChI=1S/C24H46O2/c1-7-11-13-21(9-3)15-17-23(5,25)19-20-24(6,26)18-16-22(10-4)14-12-8-2/h21-22,25-26H,7-18H2,1-6H3
InChIKeyBCYKALJFXNPZIU-UHFFFAOYSA-N
MW366.63 g/mol
LogP6.49
Rot. Bonds14

About 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol

5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol (PubChem CID 102249514) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol.

Molecular Properties

Compound Name5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol
PubChem CID102249514
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol
SMILESCCCCC(CC)CCC(C)(O)C#CC(C)(O)CCC(CC)CCCC
InChIInChI=1S/C24H46O2/c1-7-11-13-21(9-3)15-17-23(5,25)19-20-24(6,26)18-16-22(10-4)14-12-8-2/h21-22,25-26H,7-18H2,1-6H3
InChIKeyBCYKALJFXNPZIU-UHFFFAOYSA-N
XLogP6.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol?
The IUPAC name of 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol (CID 102249514) is 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol.
What is the SMILES notation for 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol?
The canonical SMILES for 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol is CCCCC(CC)CCC(C)(O)C#CC(C)(O)CCC(CC)CCCC.
What is the InChIKey of 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol?
The InChIKey is BCYKALJFXNPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-7-11-13-21(9-3)15-17-23(5,25)19-20-24(6,26)18-16-22(10-4)14-12-8-2/h21-22,25-26H,7-18H2,1-6H3.
What are the key properties of 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol?
5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol has a molecular weight of 366.63 g/mol, XLogP of 6.49, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,14-diethyl-8,11-dimethyloctadec-9-yne-8,11-diol is sourced from PubChem (CID 102249514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).