1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen

C23H42 — CID 161187621

IUPAC1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
SMILESC.C.C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C21H30.2CH4.2H2/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;;;;/h3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3;2*1H4;2*1H
InChIKeyUTHGWRMDWWRDSX-UHFFFAOYSA-N
MW318.59 g/mol
LogP8.03
Rot. Bonds3

About 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen

1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen (PubChem CID 161187621) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen.

Molecular Properties

Compound Name1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
PubChem CID161187621
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen
SMILESC.C.C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C21H30.2CH4.2H2/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;;;;/h3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3;2*1H4;2*1H
InChIKeyUTHGWRMDWWRDSX-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 58.03
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

1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;ethyl(methyl)phosphane;molecular hydrogen
CID 158183639
1-(4-ethenylcyclohexyl)-4-[2-(4-methylphenyl)ethynyl]benzene
CID 59929165
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 19380515
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 144806030
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 18724321
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006
1-[4-(4-but-1-enylcyclohexyl)cyclohexyl]-4-methylbenzene
CID 59638896
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen?
The IUPAC name of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen (CID 161187621) is 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen.
What is the SMILES notation for 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen?
The canonical SMILES for 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen is C.C.C=CC1CCC(C2CCC(c3ccc(C)cc3)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen?
The InChIKey is UTHGWRMDWWRDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30.2CH4.2H2/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18;;;;/h3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3;2*1H4;2*1H.
What are the key properties of 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen?
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen has a molecular weight of 318.59 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;molecular hydrogen is sourced from PubChem (CID 161187621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).