1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen

C80H162 — CID 158903641

IUPAC1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen
SMILESC/C=C/C1CCC(C2CCC(C)CC2)CC1.C/C=C/CCC1CCC(C2CCC(C)CC2)CC1.C=CC1CCC(C2CCC(C)CC2)CC1.C=CCCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H32.C17H30.C16H28.C15H26.C14H26.10H2/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;;;;;;;;;;/h3-4,15-18H,5-14H2,1-2H3;3,14-17H,1,4-13H2,2H3;3-4,13-16H,5-12H2,1-2H3;3,12-15H,1,4-11H2,2H3;11-14H,3-10H2,1-2H3;10*1H/b4-3+;;4-3+;;;;;;;;;;;;
InChIKeyJFTJMIJAKBQUIG-ZUISRMRHSA-N
MW1124.18 g/mol
LogP28.66
Rot. Bonds13

About 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen

1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen (PubChem CID 158903641) has the molecular formula C80H162 and a molecular weight of 1124.18 g/mol. Its IUPAC name is 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen.

Molecular Properties

Compound Name1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen
PubChem CID158903641
Molecular FormulaC80H162
Molecular Weight1124.18 g/mol
Exact Mass1123.27
IUPAC Name1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen
SMILESC/C=C/C1CCC(C2CCC(C)CC2)CC1.C/C=C/CCC1CCC(C2CCC(C)CC2)CC1.C=CC1CCC(C2CCC(C)CC2)CC1.C=CCCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H32.C17H30.C16H28.C15H26.C14H26.10H2/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;;;;;;;;;;/h3-4,15-18H,5-14H2,1-2H3;3,14-17H,1,4-13H2,2H3;3-4,13-16H,5-12H2,1-2H3;3,12-15H,1,4-11H2,2H3;11-14H,3-10H2,1-2H3;10*1H/b4-3+;;4-3+;;;;;;;;;;;;
InChIKeyJFTJMIJAKBQUIG-ZUISRMRHSA-N
XLogP28.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.18
LogP ≤ 528.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen with MolForge

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Related Compounds

1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 161342779
1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen
CID 157307820
1-but-3-enyl-4-(4-but-3-enylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-(2,2-difluoroethenyl)-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 158770701
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
CID 54021593
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641
1-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-(4-ethenylcyclohexyl)-4-[(E)-pent-3-enyl]cycloheptane
CID 142082200
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
bis(1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-2,3,4-trimethylbenzene);bis(1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3,4-trimethylbenzene);molecular hydrogen;1,2,3-trimethyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene;bis(1,2,3-trimethyl-4-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]benzene);bis(1,2,3-trimethyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene)
CID 159942432
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-[(Z)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-[(E)-pent-3-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 160675072
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen?
The IUPAC name of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen (CID 158903641) is 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen.
What is the SMILES notation for 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen?
The canonical SMILES for 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen is C/C=C/C1CCC(C2CCC(C)CC2)CC1.C/C=C/CCC1CCC(C2CCC(C)CC2)CC1.C=CC1CCC(C2CCC(C)CC2)CC1.C=CCCC1CCC(C2CCC(C)CC2)CC1.CC1CCC(C2CCC(C)CC2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen?
The InChIKey is JFTJMIJAKBQUIG-ZUISRMRHSA-N. The full InChI is InChI=1S/C18H32.C17H30.C16H28.C15H26.C14H26.10H2/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17;1-3-4-5-15-8-12-17(13-9-15)16-10-6-14(2)7-11-16;1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15;1-3-13-6-10-15(11-7-13)14-8-4-12(2)5-9-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;;;;;;;;;;/h3-4,15-18H,5-14H2,1-2H3;3,14-17H,1,4-13H2,2H3;3-4,13-16H,5-12H2,1-2H3;3,12-15H,1,4-11H2,2H3;11-14H,3-10H2,1-2H3;10*1H/b4-3+;;4-3+;;;;;;;;;;;;.
What are the key properties of 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen?
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen has a molecular weight of 1124.18 g/mol, XLogP of 28.66, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen is sourced from PubChem (CID 158903641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).