2,3-dimethylnonadecane

C21H44 — CID 537326

IUPAC2,3-dimethylnonadecane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)C
InChIInChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3
InChIKeyJXKFQCQTFUPIFF-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.15
Rot. Bonds16

About 2,3-dimethylnonadecane

2,3-dimethylnonadecane (PubChem CID 537326) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,3-dimethylnonadecane.

Molecular Properties

Compound Name2,3-dimethylnonadecane
PubChem CID537326
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,3-dimethylnonadecane
SMILESCCCCCCCCCCCCCCCCC(C)C(C)C
InChIInChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3
InChIKeyJXKFQCQTFUPIFF-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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylnonadecane?
The IUPAC name of 2,3-dimethylnonadecane (CID 537326) is 2,3-dimethylnonadecane.
What is the SMILES notation for 2,3-dimethylnonadecane?
The canonical SMILES for 2,3-dimethylnonadecane is CCCCCCCCCCCCCCCCC(C)C(C)C.
What is the InChIKey of 2,3-dimethylnonadecane?
The InChIKey is JXKFQCQTFUPIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3.
What are the key properties of 2,3-dimethylnonadecane?
2,3-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 2,3-dimethylnonadecane is sourced from PubChem (CID 537326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).