cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone

C48H80O5 — CID 140510311

IUPACcyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone
SMILESCOC1CCC(C(C)(C2CCC(OC3CCC(C(=O)C4CCCCC4)CC3)CC2)C2CCC(OC3CCC(C(=O)C4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H80O5/c1-33-9-11-35(12-10-33)47(50)37-15-25-43(26-16-37)53-45-31-21-40(22-32-45)48(2,38-17-27-41(51-3)28-18-38)39-19-29-44(30-20-39)52-42-23-13-36(14-24-42)46(49)34-7-5-4-6-8-34/h33-45H,4-32H2,1-3H3
InChIKeyRABCXMMIVIRTCK-UHFFFAOYSA-N
MW737.16 g/mol
LogP12.01
Rot. Bonds12

About cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone

cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone (PubChem CID 140510311) has the molecular formula C48H80O5 and a molecular weight of 737.16 g/mol. Its IUPAC name is cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone
PubChem CID140510311
Molecular FormulaC48H80O5
Molecular Weight737.16 g/mol
Exact Mass736.60
IUPAC Namecyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone
SMILESCOC1CCC(C(C)(C2CCC(OC3CCC(C(=O)C4CCCCC4)CC3)CC2)C2CCC(OC3CCC(C(=O)C4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C48H80O5/c1-33-9-11-35(12-10-33)47(50)37-15-25-43(26-16-37)53-45-31-21-40(22-32-45)48(2,38-17-27-41(51-3)28-18-38)39-19-29-44(30-20-39)52-42-23-13-36(14-24-42)46(49)34-7-5-4-6-8-34/h33-45H,4-32H2,1-3H3
InChIKeyRABCXMMIVIRTCK-UHFFFAOYSA-N
XLogP12.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.16
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone?
The IUPAC name of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone (CID 140510311) is cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone is COC1CCC(C(C)(C2CCC(OC3CCC(C(=O)C4CCCCC4)CC3)CC2)C2CCC(OC3CCC(C(=O)C4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone?
The InChIKey is RABCXMMIVIRTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H80O5/c1-33-9-11-35(12-10-33)47(50)37-15-25-43(26-16-37)53-45-31-21-40(22-32-45)48(2,38-17-27-41(51-3)28-18-38)39-19-29-44(30-20-39)52-42-23-13-36(14-24-42)46(49)34-7-5-4-6-8-34/h33-45H,4-32H2,1-3H3.
What are the key properties of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone?
cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone has a molecular weight of 737.16 g/mol, XLogP of 12.01, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone is sourced from PubChem (CID 140510311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).