1-ethenyl-3,5-dimethylbenzene

C10H12 — CID 21476

IUPAC1-ethenyl-3,5-dimethylbenzene
SMILESC=Cc1cc(C)cc(C)c1
InChIInChI=1S/C10H12/c1-4-10-6-8(2)5-9(3)7-10/h4-7H,1H2,2-3H3
InChIKeyXKMDZVINHIFHLY-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.95
Rot. Bonds1

About 1-ethenyl-3,5-dimethylbenzene

1-ethenyl-3,5-dimethylbenzene (PubChem CID 21476) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-ethenyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-ethenyl-3,5-dimethylbenzene
PubChem CID21476
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-ethenyl-3,5-dimethylbenzene
SMILESC=Cc1cc(C)cc(C)c1
InChIInChI=1S/C10H12/c1-4-10-6-8(2)5-9(3)7-10/h4-7H,1H2,2-3H3
InChIKeyXKMDZVINHIFHLY-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5-dimethylbenzene?
The IUPAC name of 1-ethenyl-3,5-dimethylbenzene (CID 21476) is 1-ethenyl-3,5-dimethylbenzene.
What is the SMILES notation for 1-ethenyl-3,5-dimethylbenzene?
The canonical SMILES for 1-ethenyl-3,5-dimethylbenzene is C=Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-ethenyl-3,5-dimethylbenzene?
The InChIKey is XKMDZVINHIFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-4-10-6-8(2)5-9(3)7-10/h4-7H,1H2,2-3H3.
What are the key properties of 1-ethenyl-3,5-dimethylbenzene?
1-ethenyl-3,5-dimethylbenzene has a molecular weight of 132.21 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,5-dimethylbenzene is sourced from PubChem (CID 21476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).