1,2-dimethyl-3-prop-1-en-2-ylbenzene

C11H14 — CID 10942583

IUPAC1,2-dimethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(C)c1C
InChIInChI=1S/C11H14/c1-8(2)11-7-5-6-9(3)10(11)4/h5-7H,1H2,2-4H3
InChIKeyFKIJMTKJEMUCQG-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.34
Rot. Bonds1

About 1,2-dimethyl-3-prop-1-en-2-ylbenzene

1,2-dimethyl-3-prop-1-en-2-ylbenzene (PubChem CID 10942583) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,2-dimethyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3-prop-1-en-2-ylbenzene
PubChem CID10942583
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name1,2-dimethyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(C)c1C
InChIInChI=1S/C11H14/c1-8(2)11-7-5-6-9(3)10(11)4/h5-7H,1H2,2-4H3
InChIKeyFKIJMTKJEMUCQG-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1,2-dimethyl-3-prop-1-en-2-ylbenzene (CID 10942583) is 1,2-dimethyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1,2-dimethyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1,2-dimethyl-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(C)c1C.
What is the InChIKey of 1,2-dimethyl-3-prop-1-en-2-ylbenzene?
The InChIKey is FKIJMTKJEMUCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-8(2)11-7-5-6-9(3)10(11)4/h5-7H,1H2,2-4H3.
What are the key properties of 1,2-dimethyl-3-prop-1-en-2-ylbenzene?
1,2-dimethyl-3-prop-1-en-2-ylbenzene has a molecular weight of 146.23 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 10942583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).