5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene

C17H31F — CID 91142848

IUPAC5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene
SMILESC=CCCC(F)(C(=C)CCCC)C(C)(C)C(C)C
InChIInChI=1S/C17H31F/c1-8-10-12-15(5)17(18,13-11-9-2)16(6,7)14(3)4/h9,14H,2,5,8,10-13H2,1,3-4,6-7H3
InChIKeyYHJSUUFVEAECAD-UHFFFAOYSA-N
MW254.43 g/mol
LogP6.09
Rot. Bonds9

About 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene

5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene (PubChem CID 91142848) has the molecular formula C17H31F and a molecular weight of 254.43 g/mol. Its IUPAC name is 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene.

Molecular Properties

Compound Name5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene
PubChem CID91142848
Molecular FormulaC17H31F
Molecular Weight254.43 g/mol
Exact Mass254.24
IUPAC Name5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene
SMILESC=CCCC(F)(C(=C)CCCC)C(C)(C)C(C)C
InChIInChI=1S/C17H31F/c1-8-10-12-15(5)17(18,13-11-9-2)16(6,7)14(3)4/h9,14H,2,5,8,10-13H2,1,3-4,6-7H3
InChIKeyYHJSUUFVEAECAD-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.43
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene?
The IUPAC name of 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene (CID 91142848) is 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene.
What is the SMILES notation for 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene?
The canonical SMILES for 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene is C=CCCC(F)(C(=C)CCCC)C(C)(C)C(C)C.
What is the InChIKey of 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene?
The InChIKey is YHJSUUFVEAECAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F/c1-8-10-12-15(5)17(18,13-11-9-2)16(6,7)14(3)4/h9,14H,2,5,8,10-13H2,1,3-4,6-7H3.
What are the key properties of 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene?
5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene has a molecular weight of 254.43 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutan-2-yl)-5-fluoro-6-methylidenedec-1-ene is sourced from PubChem (CID 91142848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).