1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene

C14H20 — CID 123349804

IUPAC1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
SMILESCC=C(Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H20/c1-5-14(11(2)3)10-13-8-6-12(4)7-9-13/h5-9,11H,10H2,1-4H3
InChIKeyYTEJZODNHPJHGX-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.14
Rot. Bonds3

About 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene

1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene (PubChem CID 123349804) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
PubChem CID123349804
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
SMILESCC=C(Cc1ccc(C)cc1)C(C)C
InChIInChI=1S/C14H20/c1-5-14(11(2)3)10-13-8-6-12(4)7-9-13/h5-9,11H,10H2,1-4H3
InChIKeyYTEJZODNHPJHGX-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.14
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

3-methyl-1-(4-methylphenyl)butane-2-thione
CID 162185157
(E)-1-(4-methylphenyl)pent-3-en-2-one
CID 21252003
1-(4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]propan-2-one
CID 159697261
1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
CID 134934599
4-amino-3-methyl-1-(4-methylphenyl)pentan-2-one
CID 116612281
3-(methylamino)-1-(4-methylphenyl)butan-2-one
CID 116565005
N-[(2R)-2-hydroxypropyl]-2-(4-methylphenyl)acetamide
CID 83032531
N-(2-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 43418404
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(4-methylphenyl)-3-propan-2-ylsulfanylpropan-2-one
CID 65134686
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene?
The IUPAC name of 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene (CID 123349804) is 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene.
What is the SMILES notation for 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene?
The canonical SMILES for 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene is CC=C(Cc1ccc(C)cc1)C(C)C.
What is the InChIKey of 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene?
The InChIKey is YTEJZODNHPJHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-5-14(11(2)3)10-13-8-6-12(4)7-9-13/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene?
1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene has a molecular weight of 188.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene is sourced from PubChem (CID 123349804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).