4-methyloctadecane

C19H40 — CID 517866

IUPAC4-methyloctadecane
SMILESCCCCCCCCCCCCCCC(C)CCC
InChIInChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3
InChIKeyGEGZZJBPFKEDHM-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.51
Rot. Bonds15

About 4-methyloctadecane

4-methyloctadecane (PubChem CID 517866) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 4-methyloctadecane.

Molecular Properties

Compound Name4-methyloctadecane
PubChem CID517866
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name4-methyloctadecane
SMILESCCCCCCCCCCCCCCC(C)CCC
InChIInChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3
InChIKeyGEGZZJBPFKEDHM-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

4-methyltritriacontane
CID 71346224
(4R)-4-methyldecane
CID 57191620
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
4,13-dimethylheptadecane
CID 6430494
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107

Frequently Asked Questions

What is the IUPAC name of 4-methyloctadecane?
The IUPAC name of 4-methyloctadecane (CID 517866) is 4-methyloctadecane.
What is the SMILES notation for 4-methyloctadecane?
The canonical SMILES for 4-methyloctadecane is CCCCCCCCCCCCCCC(C)CCC.
What is the InChIKey of 4-methyloctadecane?
The InChIKey is GEGZZJBPFKEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(3)17-5-2/h19H,4-18H2,1-3H3.
What are the key properties of 4-methyloctadecane?
4-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 4-methyloctadecane is sourced from PubChem (CID 517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).