1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene

C17H22 — CID 147093203

IUPAC1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C2CCC(C=C)CC2)cc1
InChIInChI=1S/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-4,8-9,12-14,16H,1-2,5-7,10-11H2
InChIKeyBJFKHRSQNJGCMJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene

1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene (PubChem CID 147093203) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
PubChem CID147093203
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(C2CCC(C=C)CC2)cc1
InChIInChI=1S/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-4,8-9,12-14,16H,1-2,5-7,10-11H2
InChIKeyBJFKHRSQNJGCMJ-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.87
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

2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-prop-2-enylphenyl)benzene
CID 59791157
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
2-ethenyl-6-(4-ethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384906
1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
CID 59929165
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
CID 161187621
2-(4-prop-2-enylphenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837174
1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene
CID 91280096
1-(4-ethenylcyclohexyl)-4-[(3Z)-hexa-1,3-dien-2-yl]benzene
CID 145041880
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene?
The IUPAC name of 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene (CID 147093203) is 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene.
What is the SMILES notation for 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene?
The canonical SMILES for 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene is C=CCc1ccc(C2CCC(C=C)CC2)cc1.
What is the InChIKey of 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene?
The InChIKey is BJFKHRSQNJGCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-4,8-9,12-14,16H,1-2,5-7,10-11H2.
What are the key properties of 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene?
1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene has a molecular weight of 226.36 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene is sourced from PubChem (CID 147093203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).