1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate

C93H138O6 — CID 91535010

IUPAC1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
SMILESCc1ccc(CCC2CCC(/C=C/C3CCC(C)CC3)CC2)cc1.Cc1ccc(CCC2CCC(CCC3CCC(C)CC3)CC2)cc1.Cc1ccc(CCC2CCC(OC(=O)C3CCC(C)CC3)CC2)cc1.Cc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C24H38.C24H36.C23H34O2.C22H30O4/c2*1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)25-23(24)21-13-5-18(2)6-14-21;1-15-3-7-17(8-4-15)21(23)26-20-13-9-18(10-14-20)22(24)25-19-11-5-16(2)6-12-19/h3-4,7-8,20,22-24H,5-6,9-18H2,1-2H3;3-4,7-8,12,14,20,22-24H,5-6,9-11,13,15-18H2,1-2H3;3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;5-6,11-12,15,17-18,20H,3-4,7-10,13-14H2,1-2H3/b;14-12+;;
InChIKeyZAQBVZZXVLOMRI-DTGRLJTMSA-N
MW1352.12 g/mol
LogP25.14
Rot. Bonds20

About 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate

1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate (PubChem CID 91535010) has the molecular formula C93H138O6 and a molecular weight of 1352.12 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
PubChem CID91535010
Molecular FormulaC93H138O6
Molecular Weight1352.12 g/mol
Exact Mass1351.05
IUPAC Name1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
SMILESCc1ccc(CCC2CCC(/C=C/C3CCC(C)CC3)CC2)cc1.Cc1ccc(CCC2CCC(CCC3CCC(C)CC3)CC2)cc1.Cc1ccc(CCC2CCC(OC(=O)C3CCC(C)CC3)CC2)cc1.Cc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C24H38.C24H36.C23H34O2.C22H30O4/c2*1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)25-23(24)21-13-5-18(2)6-14-21;1-15-3-7-17(8-4-15)21(23)26-20-13-9-18(10-14-20)22(24)25-19-11-5-16(2)6-12-19/h3-4,7-8,20,22-24H,5-6,9-18H2,1-2H3;3-4,7-8,12,14,20,22-24H,5-6,9-11,13,15-18H2,1-2H3;3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;5-6,11-12,15,17-18,20H,3-4,7-10,13-14H2,1-2H3/b;14-12+;;
InChIKeyZAQBVZZXVLOMRI-DTGRLJTMSA-N
XLogP25.14
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001352.12
LogP ≤ 525.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
(4-methylphenyl) 4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzoate
CID 59938822
ethene;[4-[2-(4-methylphenyl)ethynyl]phenyl] 4-methylcyclohexane-1-carboxylate
CID 54498488
(4-fluorophenyl) 4-[difluoro-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]methoxy]cyclohexane-1-carboxylate
CID 122502291
(4-methylcyclohexyl) 4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 59938787
(4-fluorophenyl) 4-[2-(3-methylcyclobutyl)ethyl]cyclohexane-1-carboxylate
CID 70405606
[4-[2-(4-cyanophenyl)ethyl]phenyl] 4-decylcyclohexane-1-carboxylate
CID 70404465
[4-[2-(4-pentylphenyl)ethynyl]phenyl] 4-propylcyclohexane-1-carboxylate
CID 21057511
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 160899076
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[4-(4-propylphenoxy)carbonylcyclohexyl] 4-propylbenzoate
CID 21053167
(4-propylphenyl) 4-(4-octylcyclohexyl)cyclohexane-1-carboxylate
CID 23335037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate?
The IUPAC name of 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate (CID 91535010) is 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate?
The canonical SMILES for 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate is Cc1ccc(CCC2CCC(/C=C/C3CCC(C)CC3)CC2)cc1.Cc1ccc(CCC2CCC(CCC3CCC(C)CC3)CC2)cc1.Cc1ccc(CCC2CCC(OC(=O)C3CCC(C)CC3)CC2)cc1.Cc1ccc(OC(=O)C2CCC(OC(=O)C3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate?
The InChIKey is ZAQBVZZXVLOMRI-DTGRLJTMSA-N. The full InChI is InChI=1S/C24H38.C24H36.C23H34O2.C22H30O4/c2*1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)25-23(24)21-13-5-18(2)6-14-21;1-15-3-7-17(8-4-15)21(23)26-20-13-9-18(10-14-20)22(24)25-19-11-5-16(2)6-12-19/h3-4,7-8,20,22-24H,5-6,9-18H2,1-2H3;3-4,7-8,12,14,20,22-24H,5-6,9-11,13,15-18H2,1-2H3;3-4,7-8,18,20-22H,5-6,9-16H2,1-2H3;5-6,11-12,15,17-18,20H,3-4,7-10,13-14H2,1-2H3/b;14-12+;;.
What are the key properties of 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate?
1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate has a molecular weight of 1352.12 g/mol, XLogP of 25.14, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene;[4-(4-methylphenoxy)carbonylcyclohexyl] 4-methylcyclohexane-1-carboxylate;[4-[2-(4-methylphenyl)ethyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 91535010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).