5-butyl-3,4-dimethyldec-2-ene

C16H32 — CID 123501765

IUPAC5-butyl-3,4-dimethyldec-2-ene
SMILESCC=C(C)C(C)C(CCCC)CCCCC
InChIInChI=1S/C16H32/c1-6-9-11-13-16(12-10-7-2)15(5)14(4)8-3/h8,15-16H,6-7,9-13H2,1-5H3
InChIKeyGWUAFYTVVJCYBO-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.98
Rot. Bonds9

About 5-butyl-3,4-dimethyldec-2-ene

5-butyl-3,4-dimethyldec-2-ene (PubChem CID 123501765) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 5-butyl-3,4-dimethyldec-2-ene.

Molecular Properties

Compound Name5-butyl-3,4-dimethyldec-2-ene
PubChem CID123501765
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name5-butyl-3,4-dimethyldec-2-ene
SMILESCC=C(C)C(C)C(CCCC)CCCCC
InChIInChI=1S/C16H32/c1-6-9-11-13-16(12-10-7-2)15(5)14(4)8-3/h8,15-16H,6-7,9-13H2,1-5H3
InChIKeyGWUAFYTVVJCYBO-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3,4-dimethyldec-2-ene?
The IUPAC name of 5-butyl-3,4-dimethyldec-2-ene (CID 123501765) is 5-butyl-3,4-dimethyldec-2-ene.
What is the SMILES notation for 5-butyl-3,4-dimethyldec-2-ene?
The canonical SMILES for 5-butyl-3,4-dimethyldec-2-ene is CC=C(C)C(C)C(CCCC)CCCCC.
What is the InChIKey of 5-butyl-3,4-dimethyldec-2-ene?
The InChIKey is GWUAFYTVVJCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-9-11-13-16(12-10-7-2)15(5)14(4)8-3/h8,15-16H,6-7,9-13H2,1-5H3.
What are the key properties of 5-butyl-3,4-dimethyldec-2-ene?
5-butyl-3,4-dimethyldec-2-ene has a molecular weight of 224.43 g/mol, XLogP of 5.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3,4-dimethyldec-2-ene is sourced from PubChem (CID 123501765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).