[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen

C75H154O4 — CID 159848305

IUPAC[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
SMILESCC1CCC(C2CCC(COC3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(C2CCC(OC(=O)C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H46O2.C27H48O.C21H38O.11H2/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-20-3-9-23(10-4-20)25-13-7-22(8-14-25)19-28-27-17-15-26(16-18-27)24-11-5-21(2)6-12-24;1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;;;;;;;;;;;/h19-26H,3-18H2,1-2H3;20-27H,3-19H2,1-2H3;16-21H,3-15H2,1-2H3;11*1H
InChIKeyNPPDDGPXWNQBDP-UHFFFAOYSA-N
MW1120.05 g/mol
LogP24.49
Rot. Bonds13

About [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen

[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen (PubChem CID 159848305) has the molecular formula C75H154O4 and a molecular weight of 1120.05 g/mol. Its IUPAC name is [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen.

Molecular Properties

Compound Name[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
PubChem CID159848305
Molecular FormulaC75H154O4
Molecular Weight1120.05 g/mol
Exact Mass1119.18
IUPAC Name[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen
SMILESCC1CCC(C2CCC(COC3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(C2CCC(OC(=O)C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H46O2.C27H48O.C21H38O.11H2/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-20-3-9-23(10-4-20)25-13-7-22(8-14-25)19-28-27-17-15-26(16-18-27)24-11-5-21(2)6-12-24;1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;;;;;;;;;;;/h19-26H,3-18H2,1-2H3;20-27H,3-19H2,1-2H3;16-21H,3-15H2,1-2H3;11*1H
InChIKeyNPPDDGPXWNQBDP-UHFFFAOYSA-N
XLogP24.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.05
LogP ≤ 524.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen?
The IUPAC name of [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen (CID 159848305) is [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen.
What is the SMILES notation for [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen?
The canonical SMILES for [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen is CC1CCC(C2CCC(COC3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(C2CCC(OC(=O)C3CCC(C4CCC(C)CC4)CC3)CC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1.[H][H].[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 [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen?
The InChIKey is NPPDDGPXWNQBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46O2.C27H48O.C21H38O.11H2/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-20-3-9-23(10-4-20)25-13-7-22(8-14-25)19-28-27-17-15-26(16-18-27)24-11-5-21(2)6-12-24;1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;;;;;;;;;;;/h19-26H,3-18H2,1-2H3;20-27H,3-19H2,1-2H3;16-21H,3-15H2,1-2H3;11*1H.
What are the key properties of [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen?
[4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen has a molecular weight of 1120.05 g/mol, XLogP of 24.49, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylcyclohexyl)cyclohexyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;1-methyl-4-[4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane;molecular hydrogen is sourced from PubChem (CID 159848305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).