9,10-dimethylideneoctadecane

C20H38 — CID 11425941

IUPAC9,10-dimethylideneoctadecane
SMILESC=C(CCCCCCCC)C(=C)CCCCCCCC
InChIInChI=1S/C20H38/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h3-18H2,1-2H3
InChIKeyQZFWYXWDFWOGGZ-UHFFFAOYSA-N
MW278.52 g/mol
LogP7.60
Rot. Bonds15

About 9,10-dimethylideneoctadecane

9,10-dimethylideneoctadecane (PubChem CID 11425941) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 9,10-dimethylideneoctadecane.

Molecular Properties

Compound Name9,10-dimethylideneoctadecane
PubChem CID11425941
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name9,10-dimethylideneoctadecane
SMILESC=C(CCCCCCCC)C(=C)CCCCCCCC
InChIInChI=1S/C20H38/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h3-18H2,1-2H3
InChIKeyQZFWYXWDFWOGGZ-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-dimethylideneoctadecane?
The IUPAC name of 9,10-dimethylideneoctadecane (CID 11425941) is 9,10-dimethylideneoctadecane.
What is the SMILES notation for 9,10-dimethylideneoctadecane?
The canonical SMILES for 9,10-dimethylideneoctadecane is C=C(CCCCCCCC)C(=C)CCCCCCCC.
What is the InChIKey of 9,10-dimethylideneoctadecane?
The InChIKey is QZFWYXWDFWOGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-5-7-9-11-13-15-17-19(3)20(4)18-16-14-12-10-8-6-2/h3-18H2,1-2H3.
What are the key properties of 9,10-dimethylideneoctadecane?
9,10-dimethylideneoctadecane has a molecular weight of 278.52 g/mol, XLogP of 7.60, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylideneoctadecane is sourced from PubChem (CID 11425941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).