8-methyloctadecane

C19H40 — CID 530154

IUPAC8-methyloctadecane
SMILESCCCCCCCCCCC(C)CCCCCCC
InChIInChI=1S/C19H40/c1-4-6-8-10-11-12-14-16-18-19(3)17-15-13-9-7-5-2/h19H,4-18H2,1-3H3
InChIKeyKXHLRGBHQWFLAZ-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.51
Rot. Bonds15

About 8-methyloctadecane

8-methyloctadecane (PubChem CID 530154) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 8-methyloctadecane.

Molecular Properties

Compound Name8-methyloctadecane
PubChem CID530154
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name8-methyloctadecane
SMILESCCCCCCCCCCC(C)CCCCCCC
InChIInChI=1S/C19H40/c1-4-6-8-10-11-12-14-16-18-19(3)17-15-13-9-7-5-2/h19H,4-18H2,1-3H3
InChIKeyKXHLRGBHQWFLAZ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.51
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
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of 8-methyloctadecane?
The IUPAC name of 8-methyloctadecane (CID 530154) is 8-methyloctadecane.
What is the SMILES notation for 8-methyloctadecane?
The canonical SMILES for 8-methyloctadecane is CCCCCCCCCCC(C)CCCCCCC.
What is the InChIKey of 8-methyloctadecane?
The InChIKey is KXHLRGBHQWFLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-4-6-8-10-11-12-14-16-18-19(3)17-15-13-9-7-5-2/h19H,4-18H2,1-3H3.
What are the key properties of 8-methyloctadecane?
8-methyloctadecane has a molecular weight of 268.53 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyloctadecane is sourced from PubChem (CID 530154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).