[1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate

C57H96O8 — CID 140536714

IUPAC[1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC1CCC(C(C)(C)C2CCCCC2)CC1)COC1CCC(C(C)(C)C2CCC(OCC(COC3CCC(C(C)(C)C4CCCCC4)CC3)OC(=O)C=C)CC2)CC1
InChIInChI=1S/C57H96O8/c1-9-53(58)64-51(37-60-47-29-21-43(22-30-47)55(3,4)41-17-13-11-14-18-41)39-62-49-33-25-45(26-34-49)57(7,8)46-27-35-50(36-28-46)63-40-52(65-54(59)10-2)38-61-48-31-23-44(24-32-48)56(5,6)42-19-15-12-16-20-42/h9-10,41-52H,1-2,11-40H2,3-8H3
InChIKeyYHZQMWGVZMTOCE-UHFFFAOYSA-N
MW909.39 g/mol
LogP13.72
Rot. Bonds22

About [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate

[1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate (PubChem CID 140536714) has the molecular formula C57H96O8 and a molecular weight of 909.39 g/mol. Its IUPAC name is [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate
PubChem CID140536714
Molecular FormulaC57H96O8
Molecular Weight909.39 g/mol
Exact Mass908.71
IUPAC Name[1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC1CCC(C(C)(C)C2CCCCC2)CC1)COC1CCC(C(C)(C)C2CCC(OCC(COC3CCC(C(C)(C)C4CCCCC4)CC3)OC(=O)C=C)CC2)CC1
InChIInChI=1S/C57H96O8/c1-9-53(58)64-51(37-60-47-29-21-43(22-30-47)55(3,4)41-17-13-11-14-18-41)39-62-49-33-25-45(26-34-49)57(7,8)46-27-35-50(36-28-46)63-40-52(65-54(59)10-2)38-61-48-31-23-44(24-32-48)56(5,6)42-19-15-12-16-20-42/h9-10,41-52H,1-2,11-40H2,3-8H3
InChIKeyYHZQMWGVZMTOCE-UHFFFAOYSA-N
XLogP13.72
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.39
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate with MolForge

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Related Compounds

[1-cyclohexyloxy-3-[6-[(3-cyclohexyloxy-2-prop-2-enoyloxypropoxy)carbonylamino]hexylcarbamoyloxy]propan-2-yl] 2-methylprop-2-enoate
CID 139530572
1,1-dicyclohexylethyl prop-2-enoate
CID 23450575
2-cycloheptylbutan-2-yl prop-2-enoate
CID 170992142
[1-cyclopentyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-2-yl] prop-2-enoate
CID 166810519
1-[2,3-di(propan-2-yloxy)propoxy]-4-[2-[4-[2,3-di(propan-2-yloxy)propoxy]cyclohexyl]propan-2-yl]cyclohexane
CID 135274447
1-tert-butyl-3-[2-(4-prop-2-enoxycyclohexyl)propan-2-yl]cyclohexane
CID 143233637
2-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-3-[3-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]-2,2-dimethylpropoxy]propan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 140536687
cyclohexyl 5-butoxy-2-methylidene-4-prop-2-enoyloxypentanoate
CID 67930672
[1-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-3-[4-[3-[4-[2-[4-[3-(diethylamino)-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-(ethylcarbamoyloxy)propyl]piperazin-1-yl]propan-2-yl] N-ethylcarbamate
CID 121241634
1-(dicyclohexylamino)ethyl prop-2-enoate
CID 142697109
2,2-dicyclohexyloxyethyl prop-2-enoate
CID 57291366
1-methoxy-4-[2-[4-(2-methoxypropoxy)cyclohexyl]propan-2-yl]cyclohexane
CID 145052440

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate?
The IUPAC name of [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate (CID 140536714) is [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate?
The canonical SMILES for [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate is C=CC(=O)OC(COC1CCC(C(C)(C)C2CCCCC2)CC1)COC1CCC(C(C)(C)C2CCC(OCC(COC3CCC(C(C)(C)C4CCCCC4)CC3)OC(=O)C=C)CC2)CC1.
What is the InChIKey of [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate?
The InChIKey is YHZQMWGVZMTOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H96O8/c1-9-53(58)64-51(37-60-47-29-21-43(22-30-47)55(3,4)41-17-13-11-14-18-41)39-62-49-33-25-45(26-34-49)57(7,8)46-27-35-50(36-28-46)63-40-52(65-54(59)10-2)38-61-48-31-23-44(24-32-48)56(5,6)42-19-15-12-16-20-42/h9-10,41-52H,1-2,11-40H2,3-8H3.
What are the key properties of [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate?
[1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate has a molecular weight of 909.39 g/mol, XLogP of 13.72, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-3-[4-[2-[4-[3-[4-(2-cyclohexylpropan-2-yl)cyclohexyl]oxy-2-prop-2-enoyloxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxypropan-2-yl] prop-2-enoate is sourced from PubChem (CID 140536714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).