ethene;1-methyl-2-prop-1-en-2-ylbenzene

C12H16 — CID 142947701

IUPACethene;1-methyl-2-prop-1-en-2-ylbenzene
SMILESC=C.C=C(C)c1ccccc1C
InChIInChI=1S/C10H12.C2H4/c1-8(2)10-7-5-4-6-9(10)3;1-2/h4-7H,1H2,2-3H3;1-2H2
InChIKeyAMUWGLIQGZBISP-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.83
Rot. Bonds1

About ethene;1-methyl-2-prop-1-en-2-ylbenzene

ethene;1-methyl-2-prop-1-en-2-ylbenzene (PubChem CID 142947701) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is ethene;1-methyl-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethene;1-methyl-2-prop-1-en-2-ylbenzene
PubChem CID142947701
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Nameethene;1-methyl-2-prop-1-en-2-ylbenzene
SMILESC=C.C=C(C)c1ccccc1C
InChIInChI=1S/C10H12.C2H4/c1-8(2)10-7-5-4-6-9(10)3;1-2/h4-7H,1H2,2-3H3;1-2H2
InChIKeyAMUWGLIQGZBISP-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
actinium;2-prop-1-en-2-ylphenol
CID 20669246
2-methyl-6-prop-1-en-2-ylbenzonitrile
CID 138509680
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-methyl-2-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]benzene
CID 142567671
1-(2-methylphenyl)ethenylphosphonic acid
CID 3021132
2-(2-methylphenyl)prop-2-enamide
CID 23202678

Frequently Asked Questions

What is the IUPAC name of ethene;1-methyl-2-prop-1-en-2-ylbenzene?
The IUPAC name of ethene;1-methyl-2-prop-1-en-2-ylbenzene (CID 142947701) is ethene;1-methyl-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for ethene;1-methyl-2-prop-1-en-2-ylbenzene?
The canonical SMILES for ethene;1-methyl-2-prop-1-en-2-ylbenzene is C=C.C=C(C)c1ccccc1C.
What is the InChIKey of ethene;1-methyl-2-prop-1-en-2-ylbenzene?
The InChIKey is AMUWGLIQGZBISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C2H4/c1-8(2)10-7-5-4-6-9(10)3;1-2/h4-7H,1H2,2-3H3;1-2H2.
What are the key properties of ethene;1-methyl-2-prop-1-en-2-ylbenzene?
ethene;1-methyl-2-prop-1-en-2-ylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methyl-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 142947701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).