2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol

C30H54O2 — CID 21427342

IUPAC2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C#CC#CC(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C30H54O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h25-28,31-32H,11-20,23-24H2,1-8H3
InChIKeyOVDIZOACBQOBPT-UHFFFAOYSA-N
MW446.76 g/mol
LogP7.76
Rot. Bonds16

About 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol

2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol (PubChem CID 21427342) has the molecular formula C30H54O2 and a molecular weight of 446.76 g/mol. Its IUPAC name is 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol.

Molecular Properties

Compound Name2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol
PubChem CID21427342
Molecular FormulaC30H54O2
Molecular Weight446.76 g/mol
Exact Mass446.41
IUPAC Name2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol
SMILESCC(C)CCCC(C)CCCC(C)(O)C#CC#CC(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C30H54O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h25-28,31-32H,11-20,23-24H2,1-8H3
InChIKeyOVDIZOACBQOBPT-UHFFFAOYSA-N
XLogP7.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 57.76
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 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol?
The IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol (CID 21427342) is 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol.
What is the SMILES notation for 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol?
The canonical SMILES for 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol is CC(C)CCCC(C)CCCC(C)(O)C#CC#CC(C)(O)CCCC(C)CCCC(C)C.
What is the InChIKey of 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol?
The InChIKey is OVDIZOACBQOBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O2/c1-25(2)15-11-17-27(5)19-13-23-29(7,31)21-9-10-22-30(8,32)24-14-20-28(6)18-12-16-26(3)4/h25-28,31-32H,11-20,23-24H2,1-8H3.
What are the key properties of 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol?
2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol has a molecular weight of 446.76 g/mol, XLogP of 7.76, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,15,19,23-hexamethyltetracosa-11,13-diyne-10,15-diol is sourced from PubChem (CID 21427342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).