1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene

C16H22 — CID 140592264

IUPAC1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(C2=CCCCC2)c1
InChIInChI=1S/C16H22/c1-13(2)11-14-7-6-10-16(12-14)15-8-4-3-5-9-15/h6-8,10,12-13H,3-5,9,11H2,1-2H3
InChIKeyJVBLAVVPBDHDIB-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.84
Rot. Bonds3

About 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene

1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene (PubChem CID 140592264) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene
PubChem CID140592264
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene
SMILESCC(C)Cc1cccc(C2=CCCCC2)c1
InChIInChI=1S/C16H22/c1-13(2)11-14-7-6-10-16(12-14)15-8-4-3-5-9-15/h6-8,10,12-13H,3-5,9,11H2,1-2H3
InChIKeyJVBLAVVPBDHDIB-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclopenten-1-yl)-3-ethylbenzene
CID 150038246
2-[3-(cyclohexen-1-yl)phenyl]ethanamine
CID 115022403
2-[3-(cyclohexen-1-yl)phenyl]acetic acid
CID 115029618
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
1-(3-methylsulfanylphenyl)cycloheptene
CID 175668826
1-(4-phenylphenyl)cycloheptene
CID 58982123
2-[3-(cyclohexen-1-yl)phenoxy]butanoic acid
CID 66680333
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
1-(cyclohexen-1-yl)-2-[2-(3-propan-2-ylphenyl)phenyl]benzene
CID 142394417
3-[3-(2-methylpropyl)phenyl]thiophene
CID 20771915
6-(cyclohexen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 20500285
2-methyl-5-[3-(2-methylpropyl)phenyl]aniline
CID 116545232

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene (CID 140592264) is 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene is CC(C)Cc1cccc(C2=CCCCC2)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene?
The InChIKey is JVBLAVVPBDHDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-13(2)11-14-7-6-10-16(12-14)15-8-4-3-5-9-15/h6-8,10,12-13H,3-5,9,11H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene?
1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene has a molecular weight of 214.35 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2-methylpropyl)benzene is sourced from PubChem (CID 140592264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).