2,11,23-trimethylpentacosane

C28H58 — CID 123728262

IUPAC2,11,23-trimethylpentacosane
SMILESCCC(C)CCCCCCCCCCCC(C)CCCCCCCCC(C)C
InChIInChI=1S/C28H58/c1-6-27(4)23-19-15-10-8-7-9-11-16-20-24-28(5)25-21-17-13-12-14-18-22-26(2)3/h26-28H,6-25H2,1-5H3
InChIKeyNXMPSQGATFWYOL-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.74
Rot. Bonds22

About 2,11,23-trimethylpentacosane

2,11,23-trimethylpentacosane (PubChem CID 123728262) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 2,11,23-trimethylpentacosane.

Molecular Properties

Compound Name2,11,23-trimethylpentacosane
PubChem CID123728262
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name2,11,23-trimethylpentacosane
SMILESCCC(C)CCCCCCCCCCCC(C)CCCCCCCCC(C)C
InChIInChI=1S/C28H58/c1-6-27(4)23-19-15-10-8-7-9-11-16-20-24-28(5)25-21-17-13-12-14-18-22-26(2)3/h26-28H,6-25H2,1-5H3
InChIKeyNXMPSQGATFWYOL-UHFFFAOYSA-N
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6,13-trimethylpentadecane
CID 123742386
2,6,10,15,19-pentamethylhenicosane
CID 6428617
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
2-methyldecane;3-methylheptane;3-methylundecane
CID 91314766
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
3,17-dimethylhentriacontane
CID 6431060
2,44-dimethyltripentacontane
CID 123367078
(3R,11S)-3,11-dimethyltricosane
CID 163011810
2,10,16-trimethyloctacosane
CID 91748811

Frequently Asked Questions

What is the IUPAC name of 2,11,23-trimethylpentacosane?
The IUPAC name of 2,11,23-trimethylpentacosane (CID 123728262) is 2,11,23-trimethylpentacosane.
What is the SMILES notation for 2,11,23-trimethylpentacosane?
The canonical SMILES for 2,11,23-trimethylpentacosane is CCC(C)CCCCCCCCCCCC(C)CCCCCCCCC(C)C.
What is the InChIKey of 2,11,23-trimethylpentacosane?
The InChIKey is NXMPSQGATFWYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-6-27(4)23-19-15-10-8-7-9-11-16-20-24-28(5)25-21-17-13-12-14-18-22-26(2)3/h26-28H,6-25H2,1-5H3.
What are the key properties of 2,11,23-trimethylpentacosane?
2,11,23-trimethylpentacosane has a molecular weight of 394.77 g/mol, XLogP of 10.74, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11,23-trimethylpentacosane is sourced from PubChem (CID 123728262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).