(6S)-6-methylnonadecane

C20H42 — CID 170848379

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

About (6S)-6-methylnonadecane

(6S)-6-methylnonadecane (PubChem CID 170848379) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is (6S)-6-methylnonadecane.

Molecular Properties

Compound Name(6S)-6-methylnonadecane
PubChem CID170848379
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name(6S)-6-methylnonadecane
SMILESCCCCCCCCCCCCC[C@@H](C)CCCCC
InChIInChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-17-19-20(3)18-16-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1
InChIKeyUBHMOLJIBBWNDE-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

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methylnonadecane?
The IUPAC name of (6S)-6-methylnonadecane (CID 170848379) is (6S)-6-methylnonadecane.
What is the SMILES notation for (6S)-6-methylnonadecane?
The canonical SMILES for (6S)-6-methylnonadecane is CCCCCCCCCCCCC[C@@H](C)CCCCC.
What is the InChIKey of (6S)-6-methylnonadecane?
The InChIKey is UBHMOLJIBBWNDE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H42/c1-4-6-8-9-10-11-12-13-14-15-17-19-20(3)18-16-7-5-2/h20H,4-19H2,1-3H3/t20-/m0/s1.
What are the key properties of (6S)-6-methylnonadecane?
(6S)-6-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 (6S)-6-methylnonadecane is sourced from PubChem (CID 170848379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).