2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol

C48H100O — CID 174818152

IUPAC2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
SMILESCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCCCCCCCCCCCCCO
InChIInChI=1S/C30H62.C18H38O/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h25-30H,9-24H2,1-8H3;18-19H,3-17H2,1-2H3
InChIKeyDOGSBYFVJQUGPQ-UHFFFAOYSA-N
MW693.33 g/mol
LogP17.18
Rot. Bonds36

About 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol

2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol (PubChem CID 174818152) has the molecular formula C48H100O and a molecular weight of 693.33 g/mol. Its IUPAC name is 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol.

Molecular Properties

Compound Name2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
PubChem CID174818152
Molecular FormulaC48H100O
Molecular Weight693.33 g/mol
Exact Mass692.78
IUPAC Name2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol
SMILESCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCCCCCCCCCCCCCO
InChIInChI=1S/C30H62.C18H38O/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h25-30H,9-24H2,1-8H3;18-19H,3-17H2,1-2H3
InChIKeyDOGSBYFVJQUGPQ-UHFFFAOYSA-N
XLogP17.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.33
LogP ≤ 517.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 91311361

Frequently Asked Questions

What is the IUPAC name of 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol?
The IUPAC name of 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol (CID 174818152) is 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol.
What is the SMILES notation for 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol?
The canonical SMILES for 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol is CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C.CC(C)CCCCCCCCCCCCCCCO.
What is the InChIKey of 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol?
The InChIKey is DOGSBYFVJQUGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62.C18H38O/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4;1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h25-30H,9-24H2,1-8H3;18-19H,3-17H2,1-2H3.
What are the key properties of 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol?
2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol has a molecular weight of 693.33 g/mol, XLogP of 17.18, 36 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,15,19,23-hexamethyltetracosane;16-methylheptadecan-1-ol is sourced from PubChem (CID 174818152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).