4,5-dimethylnonadecane

C21H44 — CID 123321090

IUPAC4,5-dimethylnonadecane
SMILESCCCCCCCCCCCCCCC(C)C(C)CCC
InChIInChI=1S/C21H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-21(4)20(3)18-6-2/h20-21H,5-19H2,1-4H3
InChIKeySRJRNTSSIPXLKO-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.15
Rot. Bonds16

About 4,5-dimethylnonadecane

4,5-dimethylnonadecane (PubChem CID 123321090) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 4,5-dimethylnonadecane.

Molecular Properties

Compound Name4,5-dimethylnonadecane
PubChem CID123321090
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name4,5-dimethylnonadecane
SMILESCCCCCCCCCCCCCCC(C)C(C)CCC
InChIInChI=1S/C21H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-21(4)20(3)18-6-2/h20-21H,5-19H2,1-4H3
InChIKeySRJRNTSSIPXLKO-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.15
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
8,9-dimethylhexacosane
CID 160651612
5,6,14,15-tetramethylnonadecane
CID 123473711
4,5,6,7,8,9-hexamethyloctadecane
CID 123746260
2,3,14,15-tetramethylhenicosane
CID 123460288
2,9,10-trimethyltridecane
CID 123263779
4-chloro-5-methylundecane
CID 83051980
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylnonadecane?
The IUPAC name of 4,5-dimethylnonadecane (CID 123321090) is 4,5-dimethylnonadecane.
What is the SMILES notation for 4,5-dimethylnonadecane?
The canonical SMILES for 4,5-dimethylnonadecane is CCCCCCCCCCCCCCC(C)C(C)CCC.
What is the InChIKey of 4,5-dimethylnonadecane?
The InChIKey is SRJRNTSSIPXLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-21(4)20(3)18-6-2/h20-21H,5-19H2,1-4H3.
What are the key properties of 4,5-dimethylnonadecane?
4,5-dimethylnonadecane has a molecular weight of 296.58 g/mol, XLogP of 8.15, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylnonadecane is sourced from PubChem (CID 123321090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).