[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate

C62H106O5 — CID 140514735

IUPAC[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate
SMILESCC(C)(C1CCCCC1)C1CCC(OC(=O)C2CCCC(C(C)(C)C3CCC(OC4CCC(C(C)(C)C5CCCC(C(=O)OC6CCC(C(C)(C)C7CCCCC7)CC6)C5)CC4)CC3)C2)CC1
InChIInChI=1S/C62H106O5/c1-59(2,45-19-11-9-12-20-45)47-29-37-55(38-30-47)66-57(63)43-17-15-23-51(41-43)61(5,6)49-25-33-53(34-26-49)65-54-35-27-50(28-36-54)62(7,8)52-24-16-18-44(42-52)58(64)67-56-39-31-48(32-40-56)60(3,4)46-21-13-10-14-22-46/h43-56H,9-42H2,1-8H3
InChIKeyNACNFRYJHHZMIM-UHFFFAOYSA-N
MW931.52 g/mol
LogP17.20
Rot. Bonds14

About [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate

[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate (PubChem CID 140514735) has the molecular formula C62H106O5 and a molecular weight of 931.52 g/mol. Its IUPAC name is [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate
PubChem CID140514735
Molecular FormulaC62H106O5
Molecular Weight931.52 g/mol
Exact Mass930.80
IUPAC Name[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate
SMILESCC(C)(C1CCCCC1)C1CCC(OC(=O)C2CCCC(C(C)(C)C3CCC(OC4CCC(C(C)(C)C5CCCC(C(=O)OC6CCC(C(C)(C)C7CCCCC7)CC6)C5)CC4)CC3)C2)CC1
InChIInChI=1S/C62H106O5/c1-59(2,45-19-11-9-12-20-45)47-29-37-55(38-30-47)66-57(63)43-17-15-23-51(41-43)61(5,6)49-25-33-53(34-26-49)65-54-35-27-50(28-36-54)62(7,8)52-24-16-18-44(42-52)58(64)67-56-39-31-48(32-40-56)60(3,4)46-21-13-10-14-22-46/h43-56H,9-42H2,1-8H3
InChIKeyNACNFRYJHHZMIM-UHFFFAOYSA-N
XLogP17.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.52
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate (CID 140514735) is [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate is CC(C)(C1CCCCC1)C1CCC(OC(=O)C2CCCC(C(C)(C)C3CCC(OC4CCC(C(C)(C)C5CCCC(C(=O)OC6CCC(C(C)(C)C7CCCCC7)CC6)C5)CC4)CC3)C2)CC1.
What is the InChIKey of [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate?
The InChIKey is NACNFRYJHHZMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H106O5/c1-59(2,45-19-11-9-12-20-45)47-29-37-55(38-30-47)66-57(63)43-17-15-23-51(41-43)61(5,6)49-25-33-53(34-26-49)65-54-35-27-50(28-36-54)62(7,8)52-24-16-18-44(42-52)58(64)67-56-39-31-48(32-40-56)60(3,4)46-21-13-10-14-22-46/h43-56H,9-42H2,1-8H3.
What are the key properties of [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate?
[4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate has a molecular weight of 931.52 g/mol, XLogP of 17.20, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylpropan-2-yl)cyclohexyl] 3-[2-[4-[4-[2-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxycarbonylcyclohexyl]propan-2-yl]cyclohexyl]oxycyclohexyl]propan-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 140514735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).