cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone

C50H76O5 — CID 163786567

IUPACcyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone
SMILESC=C(C)C(c1ccc(OC2CCC(C(=O)C3CCCCC3)CC2)cc1)(C1CCC(OC)CC1)C1CCC(OC2CCC(C(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C50H76O5/c1-34(2)50(40-18-28-43(53-4)29-19-40,41-20-30-46(31-21-41)54-44-24-14-38(15-25-44)48(51)36-8-6-5-7-9-36)42-22-32-47(33-23-42)55-45-26-16-39(17-27-45)49(52)37-12-10-35(3)11-13-37/h20-21,30-31,35-40,42-45,47H,1,5-19,22-29,32-33H2,2-4H3
InChIKeyMTBVMHWDWKDZCZ-UHFFFAOYSA-N
MW757.15 g/mol
LogP12.32
Rot. Bonds13

About cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone

cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone (PubChem CID 163786567) has the molecular formula C50H76O5 and a molecular weight of 757.15 g/mol. Its IUPAC name is cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone
PubChem CID163786567
Molecular FormulaC50H76O5
Molecular Weight757.15 g/mol
Exact Mass756.57
IUPAC Namecyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone
SMILESC=C(C)C(c1ccc(OC2CCC(C(=O)C3CCCCC3)CC2)cc1)(C1CCC(OC)CC1)C1CCC(OC2CCC(C(=O)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C50H76O5/c1-34(2)50(40-18-28-43(53-4)29-19-40,41-20-30-46(31-21-41)54-44-24-14-38(15-25-44)48(51)36-8-6-5-7-9-36)42-22-32-47(33-23-42)55-45-26-16-39(17-27-45)49(52)37-12-10-35(3)11-13-37/h20-21,30-31,35-40,42-45,47H,1,5-19,22-29,32-33H2,2-4H3
InChIKeyMTBVMHWDWKDZCZ-UHFFFAOYSA-N
XLogP12.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.15
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]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-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 123136286
[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 140502494
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491
[4-[2-[4-(4-cyclohexyloxycyclohexyl)oxycyclohexanecarbonyl]-4-[4-(4-methylcyclohexyl)sulfanylcyclohexyl]cyclohexyl]cyclohexyl]-(4-methoxycyclohexyl)methanone
CID 140502495
1-(4-methylcyclohexyl)oxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 21137300
(1S)-1-methyl-4-(4-methylphenoxy)cycloheptane
CID 142216583
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724
2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid
CID 114520026
4-cyclohexyloxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000518

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone?
The IUPAC name of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone (CID 163786567) is cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone is C=C(C)C(c1ccc(OC2CCC(C(=O)C3CCCCC3)CC2)cc1)(C1CCC(OC)CC1)C1CCC(OC2CCC(C(=O)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone?
The InChIKey is MTBVMHWDWKDZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H76O5/c1-34(2)50(40-18-28-43(53-4)29-19-40,41-20-30-46(31-21-41)54-44-24-14-38(15-25-44)48(51)36-8-6-5-7-9-36)42-22-32-47(33-23-42)55-45-26-16-39(17-27-45)49(52)37-12-10-35(3)11-13-37/h20-21,30-31,35-40,42-45,47H,1,5-19,22-29,32-33H2,2-4H3.
What are the key properties of cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone?
cyclohexyl-[4-[4-[1-(4-methoxycyclohexyl)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone has a molecular weight of 757.15 g/mol, XLogP of 12.32, 13 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)-2-methyl-1-[4-[4-(4-methylcyclohexanecarbonyl)cyclohexyl]oxycyclohexyl]prop-2-enyl]phenoxy]cyclohexyl]methanone is sourced from PubChem (CID 163786567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).