8,9-dimethylhexacosane

C28H58 — CID 160651612

IUPAC8,9-dimethylhexacosane
SMILESCCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCC
InChIInChI=1S/C28H58/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28(4)27(3)25-23-21-10-8-6-2/h27-28H,5-26H2,1-4H3
InChIKeyRKMPIRBHOLFZSJ-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.88
Rot. Bonds23

About 8,9-dimethylhexacosane

8,9-dimethylhexacosane (PubChem CID 160651612) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 8,9-dimethylhexacosane.

Molecular Properties

Compound Name8,9-dimethylhexacosane
PubChem CID160651612
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name8,9-dimethylhexacosane
SMILESCCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCC
InChIInChI=1S/C28H58/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28(4)27(3)25-23-21-10-8-6-2/h27-28H,5-26H2,1-4H3
InChIKeyRKMPIRBHOLFZSJ-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.88
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

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945
8,11,12-trimethyltricosane
CID 175564994
2,3-dimethylpentadecan-1-amine
CID 81010439
2,4,5-trimethyldodecane
CID 123969029

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethylhexacosane?
The IUPAC name of 8,9-dimethylhexacosane (CID 160651612) is 8,9-dimethylhexacosane.
What is the SMILES notation for 8,9-dimethylhexacosane?
The canonical SMILES for 8,9-dimethylhexacosane is CCCCCCCCCCCCCCCCCC(C)C(C)CCCCCCC.
What is the InChIKey of 8,9-dimethylhexacosane?
The InChIKey is RKMPIRBHOLFZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28(4)27(3)25-23-21-10-8-6-2/h27-28H,5-26H2,1-4H3.
What are the key properties of 8,9-dimethylhexacosane?
8,9-dimethylhexacosane has a molecular weight of 394.77 g/mol, XLogP of 10.88, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethylhexacosane is sourced from PubChem (CID 160651612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).