2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane

C13H20 — CID 142106307

IUPAC2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane
SMILESC.C=Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C12H16.CH4/c1-5-11-8-12(9(2)3)7-6-10(11)4;/h5-9H,1H2,2-4H3;1H4
InChIKeyUEYZKDZGNMLQHL-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.40
Rot. Bonds2

About 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane

2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane (PubChem CID 142106307) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane.

Molecular Properties

Compound Name2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane
PubChem CID142106307
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane
SMILESC.C=Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C12H16.CH4/c1-5-11-8-12(9(2)3)7-6-10(11)4;/h5-9H,1H2,2-4H3;1H4
InChIKeyUEYZKDZGNMLQHL-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-1-methyl-4-propan-2-ylbenzene;2-methylpentan-2-ol
CID 166146990
2-ethenyl-4-propan-2-ylbenzenethiol
CID 155112064
2-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]benzene
CID 142382594
1-(2-methyl-5-propan-2-ylphenyl)-N-prop-1-en-2-ylmethanimine
CID 129213458
1-(2-ethenylphenyl)-2-methyl-4-propan-2-ylbenzene
CID 145064403
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
ethane;1-ethenyl-2-methylbenzene;1-ethenyl-3-propan-2-ylbenzene
CID 176998794
1-ethenyl-2-methoxy-4-propan-2-ylbenzene
CID 67419573
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1-ethenyl-2-nitro-4-propan-2-ylbenzene
CID 19936978
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
6-ethenyl-1,4,7-trimethylnaphthalene
CID 123671430

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane?
The IUPAC name of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane (CID 142106307) is 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane.
What is the SMILES notation for 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane?
The canonical SMILES for 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane is C.C=Cc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane?
The InChIKey is UEYZKDZGNMLQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.CH4/c1-5-11-8-12(9(2)3)7-6-10(11)4;/h5-9H,1H2,2-4H3;1H4.
What are the key properties of 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane?
2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane has a molecular weight of 176.30 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-4-propan-2-ylbenzene;methane is sourced from PubChem (CID 142106307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).