4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene

C14H18 — CID 91045189

IUPAC4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(C)=CC)cc1C
InChIInChI=1S/C14H18/c1-6-11(4)13-7-8-14(10(2)3)12(5)9-13/h6-9H,2H2,1,3-5H3
InChIKeyUYQMTEXNTARNBX-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.45
Rot. Bonds2

About 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene

4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene (PubChem CID 91045189) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
PubChem CID91045189
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(C)=CC)cc1C
InChIInChI=1S/C14H18/c1-6-11(4)13-7-8-14(10(2)3)12(5)9-13/h6-9H,2H2,1,3-5H3
InChIKeyUYQMTEXNTARNBX-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
3-methyl-4-prop-1-en-2-ylbenzaldehyde
CID 165138521
1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite
CID 142037591
4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene
CID 143533260
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
1,5-dimethyl-2-[(E)-prop-1-enyl]-4-prop-1-en-2-ylbenzene
CID 169185434
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
(3-methyl-4-prop-1-en-2-ylphenyl) acetate
CID 21189087

Frequently Asked Questions

What is the IUPAC name of 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene?
The IUPAC name of 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene (CID 91045189) is 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C(C)=CC)cc1C.
What is the InChIKey of 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene?
The InChIKey is UYQMTEXNTARNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-6-11(4)13-7-8-14(10(2)3)12(5)9-13/h6-9H,2H2,1,3-5H3.
What are the key properties of 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene?
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 91045189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).