1-ethenyl-4-(2-methylbutyl)benzene

C13H18 — CID 22475803

IUPAC1-ethenyl-4-(2-methylbutyl)benzene
SMILESC=Cc1ccc(CC(C)CC)cc1
InChIInChI=1S/C13H18/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h5-9,11H,2,4,10H2,1,3H3
InChIKeyVRGQOKDUJCYANC-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.92
Rot. Bonds4

About 1-ethenyl-4-(2-methylbutyl)benzene

1-ethenyl-4-(2-methylbutyl)benzene (PubChem CID 22475803) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methylbutyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-methylbutyl)benzene
PubChem CID22475803
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-ethenyl-4-(2-methylbutyl)benzene
SMILESC=Cc1ccc(CC(C)CC)cc1
InChIInChI=1S/C13H18/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h5-9,11H,2,4,10H2,1,3H3
InChIKeyVRGQOKDUJCYANC-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
4-(4-ethenylphenyl)-3-[(4-ethenylphenyl)methyl]-2-ethylbutan-1-ol
CID 166781663
1-(2-methylbutyl)-4-(prop-2-enoxymethyl)benzene
CID 21058844
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
azane;1-ethenyl-4-(3-ethylpentyl)benzene
CID 175164173
ethane;formaldehyde;1-methoxy-4-[(2S)-2-methylbutyl]benzene
CID 171097729

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methylbutyl)benzene?
The IUPAC name of 1-ethenyl-4-(2-methylbutyl)benzene (CID 22475803) is 1-ethenyl-4-(2-methylbutyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(2-methylbutyl)benzene?
The canonical SMILES for 1-ethenyl-4-(2-methylbutyl)benzene is C=Cc1ccc(CC(C)CC)cc1.
What is the InChIKey of 1-ethenyl-4-(2-methylbutyl)benzene?
The InChIKey is VRGQOKDUJCYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h5-9,11H,2,4,10H2,1,3H3.
What are the key properties of 1-ethenyl-4-(2-methylbutyl)benzene?
1-ethenyl-4-(2-methylbutyl)benzene has a molecular weight of 174.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methylbutyl)benzene is sourced from PubChem (CID 22475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).