(5S)-5-methylnonadecane

C20H42 — CID 170848384

IUPAC(5S)-5-methylnonadecane
SMILESCCCCCCCCCCCCCC[C@@H](C)CCCC
InChIInChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-20(3)18-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1
InChIKeyZFWCHSBHHWYGCK-FQEVSTJZSA-N
MW282.56 g/mol
LogP7.90
Rot. Bonds16

About (5S)-5-methylnonadecane

(5S)-5-methylnonadecane (PubChem CID 170848384) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is (5S)-5-methylnonadecane.

Molecular Properties

Compound Name(5S)-5-methylnonadecane
PubChem CID170848384
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name(5S)-5-methylnonadecane
SMILESCCCCCCCCCCCCCC[C@@H](C)CCCC
InChIInChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-20(3)18-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1
InChIKeyZFWCHSBHHWYGCK-FQEVSTJZSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.90
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

5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472
5,17-dimethylnonacosane
CID 56936184
5,13,19-trimethylheptatriacontane
CID 172565409
5,23-dimethyltritriacontane
CID 71339926
5-methyloctatriacontane
CID 527416
5,15-dimethylpentatriacontane
CID 6430641
5,8,18,24-tetramethylhentriacontane
CID 6430103
5,9-dimethyloctacosane
CID 86017569
5,9,13-trimethylnonatriacontane
CID 6430649
5,9,13,23-tetramethylnonatriacontane
CID 6430646
(5S,9R)-5,9-dimethylpentadecane
CID 12993532

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methylnonadecane?
The IUPAC name of (5S)-5-methylnonadecane (CID 170848384) is (5S)-5-methylnonadecane.
What is the SMILES notation for (5S)-5-methylnonadecane?
The canonical SMILES for (5S)-5-methylnonadecane is CCCCCCCCCCCCCC[C@@H](C)CCCC.
What is the InChIKey of (5S)-5-methylnonadecane?
The InChIKey is ZFWCHSBHHWYGCK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-20(3)18-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1.
What are the key properties of (5S)-5-methylnonadecane?
(5S)-5-methylnonadecane has a molecular weight of 282.56 g/mol, XLogP of 7.90, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methylnonadecane is sourced from PubChem (CID 170848384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).