4-but-1-enyl-1,2-dimethylbenzene

C12H16 — CID 54516988

IUPAC4-but-1-enyl-1,2-dimethylbenzene
SMILESCCC=Cc1ccc(C)c(C)c1
InChIInChI=1S/C12H16/c1-4-5-6-12-8-7-10(2)11(3)9-12/h5-9H,4H2,1-3H3
InChIKeyYNBYGFQEZJVIOQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.73
Rot. Bonds2

About 4-but-1-enyl-1,2-dimethylbenzene

4-but-1-enyl-1,2-dimethylbenzene (PubChem CID 54516988) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-but-1-enyl-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-but-1-enyl-1,2-dimethylbenzene
PubChem CID54516988
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4-but-1-enyl-1,2-dimethylbenzene
SMILESCCC=Cc1ccc(C)c(C)c1
InChIInChI=1S/C12H16/c1-4-5-6-12-8-7-10(2)11(3)9-12/h5-9H,4H2,1-3H3
InChIKeyYNBYGFQEZJVIOQ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
CID 144895148
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
4-(3,4-dimethylphenyl)-N-ethylbut-3-en-1-amine
CID 79592282
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
3-(3,4-dimethylphenyl)prop-2-enyl hydrogen carbonate
CID 175063351
4-[(E)-2-(3,4-dimethylphenyl)ethenyl]-N,N-diethylaniline
CID 139552946
6-[(E)-but-1-enyl]-2-methylcyclohepta-2,4,6-trien-1-one
CID 158063432
6-[(E)-but-1-enyl]-4-methylquinoline
CID 176872163
(E)-3-(3,4-dimethylphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 122385230
4-[(E)-but-1-enyl]-2-methoxyaniline
CID 170101265
5-but-1-enyl-2-methoxyphenol
CID 154188368

Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyl-1,2-dimethylbenzene?
The IUPAC name of 4-but-1-enyl-1,2-dimethylbenzene (CID 54516988) is 4-but-1-enyl-1,2-dimethylbenzene.
What is the SMILES notation for 4-but-1-enyl-1,2-dimethylbenzene?
The canonical SMILES for 4-but-1-enyl-1,2-dimethylbenzene is CCC=Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-but-1-enyl-1,2-dimethylbenzene?
The InChIKey is YNBYGFQEZJVIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-5-6-12-8-7-10(2)11(3)9-12/h5-9H,4H2,1-3H3.
What are the key properties of 4-but-1-enyl-1,2-dimethylbenzene?
4-but-1-enyl-1,2-dimethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-1,2-dimethylbenzene is sourced from PubChem (CID 54516988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).