4,13-dimethylheptadecane

C19H40 — CID 6430494

IUPAC4,13-dimethylheptadecane
SMILESCCCCC(C)CCCCCCCCC(C)CCC
InChIInChI=1S/C19H40/c1-5-7-15-19(4)17-13-11-9-8-10-12-16-18(3)14-6-2/h18-19H,5-17H2,1-4H3
InChIKeyYFHUMDPIGZFTRU-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.37
Rot. Bonds14

About 4,13-dimethylheptadecane

4,13-dimethylheptadecane (PubChem CID 6430494) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 4,13-dimethylheptadecane.

Molecular Properties

Compound Name4,13-dimethylheptadecane
PubChem CID6430494
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name4,13-dimethylheptadecane
SMILESCCCCC(C)CCCCCCCCC(C)CCC
InChIInChI=1S/C19H40/c1-5-7-15-19(4)17-13-11-9-8-10-12-16-18(3)14-6-2/h18-19H,5-17H2,1-4H3
InChIKeyYFHUMDPIGZFTRU-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.37
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
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4,10-dimethyltriacontane
CID 6430425
4,8,14-trimethyltetratriacontane
CID 6431076
5,15-dimethylpentatriacontane
CID 6430641
5,13,19-trimethylheptatriacontane
CID 172565409
5,11-dimethylheptacosane
CID 6430065
5-methylicosane
CID 527472

Frequently Asked Questions

What is the IUPAC name of 4,13-dimethylheptadecane?
The IUPAC name of 4,13-dimethylheptadecane (CID 6430494) is 4,13-dimethylheptadecane.
What is the SMILES notation for 4,13-dimethylheptadecane?
The canonical SMILES for 4,13-dimethylheptadecane is CCCCC(C)CCCCCCCCC(C)CCC.
What is the InChIKey of 4,13-dimethylheptadecane?
The InChIKey is YFHUMDPIGZFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-5-7-15-19(4)17-13-11-9-8-10-12-16-18(3)14-6-2/h18-19H,5-17H2,1-4H3.
What are the key properties of 4,13-dimethylheptadecane?
4,13-dimethylheptadecane has a molecular weight of 268.53 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,13-dimethylheptadecane is sourced from PubChem (CID 6430494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).