1-cyclobutyl-4-ethenylbenzene;pentane

C17H26 — CID 144867971

IUPAC1-cyclobutyl-4-ethenylbenzene;pentane
SMILESC=Cc1ccc(C2CCC2)cc1.CCCCC
InChIInChI=1S/C12H14.C5H12/c1-2-10-6-8-12(9-7-10)11-4-3-5-11;1-3-5-4-2/h2,6-9,11H,1,3-5H2;3-5H2,1-2H3
InChIKeySQUROLYHIACMNQ-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.79
Rot. Bonds4

About 1-cyclobutyl-4-ethenylbenzene;pentane

1-cyclobutyl-4-ethenylbenzene;pentane (PubChem CID 144867971) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-cyclobutyl-4-ethenylbenzene;pentane.

Molecular Properties

Compound Name1-cyclobutyl-4-ethenylbenzene;pentane
PubChem CID144867971
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-cyclobutyl-4-ethenylbenzene;pentane
SMILESC=Cc1ccc(C2CCC2)cc1.CCCCC
InChIInChI=1S/C12H14.C5H12/c1-2-10-6-8-12(9-7-10)11-4-3-5-11;1-3-5-4-2/h2,6-9,11H,1,3-5H2;3-5H2,1-2H3
InChIKeySQUROLYHIACMNQ-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-ethenylphenyl)cyclooctane
CID 19849973
1-cyclohexyl-4-ethenylbenzene
CID 21225537
1-ethenyl-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 20645937
1-ethenyl-4-(3-methylcyclohexyl)benzene
CID 145419029
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
2-(4-ethenylphenyl)-5-heptyl-1,3-dioxane
CID 13130746
1-butoxy-2-cyclopentyl-4-ethenylbenzene
CID 89054321
1-(4-cyclobutylphenyl)-2-methylhexan-1-ol
CID 114247193
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
4-cyclooctylbenzaldehyde
CID 12923818
4-cycloheptylbenzaldehyde
CID 21484445
1-[(E)-2-fluoroethenyl]-4-(4-hexylcyclohexyl)benzene
CID 19781015

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-ethenylbenzene;pentane?
The IUPAC name of 1-cyclobutyl-4-ethenylbenzene;pentane (CID 144867971) is 1-cyclobutyl-4-ethenylbenzene;pentane.
What is the SMILES notation for 1-cyclobutyl-4-ethenylbenzene;pentane?
The canonical SMILES for 1-cyclobutyl-4-ethenylbenzene;pentane is C=Cc1ccc(C2CCC2)cc1.CCCCC.
What is the InChIKey of 1-cyclobutyl-4-ethenylbenzene;pentane?
The InChIKey is SQUROLYHIACMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C5H12/c1-2-10-6-8-12(9-7-10)11-4-3-5-11;1-3-5-4-2/h2,6-9,11H,1,3-5H2;3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-ethenylbenzene;pentane?
1-cyclobutyl-4-ethenylbenzene;pentane has a molecular weight of 230.39 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-ethenylbenzene;pentane is sourced from PubChem (CID 144867971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).