[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone

C35H56O5 — CID 123136286

IUPAC[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
SMILESCOC1CCC(C(=O)C2CCC(C(=O)C3CCC(OC4CCC(C(=O)C5CCC(C)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C35H56O5/c1-23-3-5-24(6-4-23)33(36)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)26-9-7-25(8-10-26)34(37)27-11-17-30(39-2)18-12-27/h23-32H,3-22H2,1-2H3
InChIKeyOYSFKQASVZBWSC-UHFFFAOYSA-N
MW556.83 g/mol
LogP7.67
Rot. Bonds9

About [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone

[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone (PubChem CID 123136286) has the molecular formula C35H56O5 and a molecular weight of 556.83 g/mol. Its IUPAC name is [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
PubChem CID123136286
Molecular FormulaC35H56O5
Molecular Weight556.83 g/mol
Exact Mass556.41
IUPAC Name[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
SMILESCOC1CCC(C(=O)C2CCC(C(=O)C3CCC(OC4CCC(C(=O)C5CCC(C)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C35H56O5/c1-23-3-5-24(6-4-23)33(36)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)26-9-7-25(8-10-26)34(37)27-11-17-30(39-2)18-12-27/h23-32H,3-22H2,1-2H3
InChIKeyOYSFKQASVZBWSC-UHFFFAOYSA-N
XLogP7.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.83
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone with MolForge

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Related Compounds

cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]ethyl]cyclohexyl]oxycyclohexyl]methanone
CID 140510311
[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 140502494
[4-[2-[4-(4-cyclohexyloxycyclohexyl)oxycyclohexanecarbonyl]-4-[4-(4-methylcyclohexyl)sulfanylcyclohexyl]cyclohexyl]cyclohexyl]-(4-methoxycyclohexyl)methanone
CID 140502495
2-aminoacetic acid;1-methoxy-4-methylcyclohexane
CID 170636646
cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone
CID 163786567
(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
CID 59938817
3-(4-methylcyclohexyl)oxycyclobutan-1-ol
CID 66368537
2,2,2-trifluoro-1-(4-methoxycyclohexyl)ethanone
CID 66706358
2-hydroxy-1-(4-methoxycyclohexyl)-2-methylpropan-1-one
CID 118486366
(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
CID 118883086
methyl 4-(3,4-dimethylcyclohexyl)oxycyclohexane-1-carboxylate
CID 114450729
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone (CID 123136286) is [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone is COC1CCC(C(=O)C2CCC(C(=O)C3CCC(OC4CCC(C(=O)C5CCC(C)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone?
The InChIKey is OYSFKQASVZBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H56O5/c1-23-3-5-24(6-4-23)33(36)28-13-19-31(20-14-28)40-32-21-15-29(16-22-32)35(38)26-9-7-25(8-10-26)34(37)27-11-17-30(39-2)18-12-27/h23-32H,3-22H2,1-2H3.
What are the key properties of [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone?
[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone has a molecular weight of 556.83 g/mol, XLogP of 7.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 123136286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).