[(E)-5,9-dimethyldec-2-enyl]benzene

C18H28 — CID 173380139

IUPAC[(E)-5,9-dimethyldec-2-enyl]benzene
SMILESCC(C)CCCC(C)C/C=C/Cc1ccccc1
InChIInChI=1S/C18H28/c1-16(2)10-9-12-17(3)11-7-8-15-18-13-5-4-6-14-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3/b8-7+
InChIKeyLDGYURSOMCFZRB-BQYQJAHWSA-N
MW244.42 g/mol
LogP5.64
Rot. Bonds8

About [(E)-5,9-dimethyldec-2-enyl]benzene

[(E)-5,9-dimethyldec-2-enyl]benzene (PubChem CID 173380139) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is [(E)-5,9-dimethyldec-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-5,9-dimethyldec-2-enyl]benzene
PubChem CID173380139
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name[(E)-5,9-dimethyldec-2-enyl]benzene
SMILESCC(C)CCCC(C)C/C=C/Cc1ccccc1
InChIInChI=1S/C18H28/c1-16(2)10-9-12-17(3)11-7-8-15-18-13-5-4-6-14-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3/b8-7+
InChIKeyLDGYURSOMCFZRB-BQYQJAHWSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.64
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 [(E)-5,9-dimethyldec-2-enyl]benzene?
The IUPAC name of [(E)-5,9-dimethyldec-2-enyl]benzene (CID 173380139) is [(E)-5,9-dimethyldec-2-enyl]benzene.
What is the SMILES notation for [(E)-5,9-dimethyldec-2-enyl]benzene?
The canonical SMILES for [(E)-5,9-dimethyldec-2-enyl]benzene is CC(C)CCCC(C)C/C=C/Cc1ccccc1.
What is the InChIKey of [(E)-5,9-dimethyldec-2-enyl]benzene?
The InChIKey is LDGYURSOMCFZRB-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H28/c1-16(2)10-9-12-17(3)11-7-8-15-18-13-5-4-6-14-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3/b8-7+.
What are the key properties of [(E)-5,9-dimethyldec-2-enyl]benzene?
[(E)-5,9-dimethyldec-2-enyl]benzene has a molecular weight of 244.42 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,9-dimethyldec-2-enyl]benzene is sourced from PubChem (CID 173380139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).