2-methylnonadecane;propan-2-one

C23H48O — CID 141405407

IUPAC2-methylnonadecane;propan-2-one
SMILESCC(C)=O.CCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H42.C3H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-3(2)4/h20H,4-19H2,1-3H3;1-2H3
InChIKeyYENOTUFMVULKPM-UHFFFAOYSA-N
MW340.64 g/mol
LogP8.50
Rot. Bonds16

About 2-methylnonadecane;propan-2-one

2-methylnonadecane;propan-2-one (PubChem CID 141405407) has the molecular formula C23H48O and a molecular weight of 340.64 g/mol. Its IUPAC name is 2-methylnonadecane;propan-2-one.

Molecular Properties

Compound Name2-methylnonadecane;propan-2-one
PubChem CID141405407
Molecular FormulaC23H48O
Molecular Weight340.64 g/mol
Exact Mass340.37
IUPAC Name2-methylnonadecane;propan-2-one
SMILESCC(C)=O.CCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C20H42.C3H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-3(2)4/h20H,4-19H2,1-3H3;1-2H3
InChIKeyYENOTUFMVULKPM-UHFFFAOYSA-N
XLogP8.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 58.50
H-Bond Donors ≤ 50
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 175261137
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CID 23415
2-methylpentaoctacontane
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2-methyltetratriacontane
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2-methyloctacosane
CID 519147
hydroxylamine;2-methylnonadecane
CID 87902402
35-methylhexatriacontan-18-one
CID 154265958
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CID 175414560
2-methylnonane;heptahydrofluoride
CID 160801749
alumane;2-methyldecane
CID 174844655
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CID 157337652

Frequently Asked Questions

What is the IUPAC name of 2-methylnonadecane;propan-2-one?
The IUPAC name of 2-methylnonadecane;propan-2-one (CID 141405407) is 2-methylnonadecane;propan-2-one.
What is the SMILES notation for 2-methylnonadecane;propan-2-one?
The canonical SMILES for 2-methylnonadecane;propan-2-one is CC(C)=O.CCCCCCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methylnonadecane;propan-2-one?
The InChIKey is YENOTUFMVULKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42.C3H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-3(2)4/h20H,4-19H2,1-3H3;1-2H3.
What are the key properties of 2-methylnonadecane;propan-2-one?
2-methylnonadecane;propan-2-one has a molecular weight of 340.64 g/mol, XLogP of 8.50, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnonadecane;propan-2-one is sourced from PubChem (CID 141405407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).