9,10-dimethyloctadecane

C20H42 — CID 530173

IUPAC9,10-dimethyloctadecane
SMILESCCCCCCCCC(C)C(C)CCCCCCCC
InChIInChI=1S/C20H42/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyIZWHERZFONYXEC-UHFFFAOYSA-N
MW282.56 g/mol
LogP7.76
Rot. Bonds15

About 9,10-dimethyloctadecane

9,10-dimethyloctadecane (PubChem CID 530173) has the molecular formula C20H42 and a molecular weight of 282.56 g/mol. Its IUPAC name is 9,10-dimethyloctadecane.

Molecular Properties

Compound Name9,10-dimethyloctadecane
PubChem CID530173
Molecular FormulaC20H42
Molecular Weight282.56 g/mol
Exact Mass282.33
IUPAC Name9,10-dimethyloctadecane
SMILESCCCCCCCCC(C)C(C)CCCCCCCC
InChIInChI=1S/C20H42/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyIZWHERZFONYXEC-UHFFFAOYSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.56
LogP ≤ 57.76
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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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyloctadecane?
The IUPAC name of 9,10-dimethyloctadecane (CID 530173) is 9,10-dimethyloctadecane.
What is the SMILES notation for 9,10-dimethyloctadecane?
The canonical SMILES for 9,10-dimethyloctadecane is CCCCCCCCC(C)C(C)CCCCCCCC.
What is the InChIKey of 9,10-dimethyloctadecane?
The InChIKey is IZWHERZFONYXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 9,10-dimethyloctadecane?
9,10-dimethyloctadecane has a molecular weight of 282.56 g/mol, XLogP of 7.76, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyloctadecane is sourced from PubChem (CID 530173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).