2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate

C61H78O8Si2 — CID 140881260

IUPAC2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C2CCC(CCCCC)CC2)c1
InChIInChI=1S/C61H78O8Si2/c1-10-11-16-25-49-34-36-50(37-35-49)51-42-52(64-38-40-66-58(62)47(2)45-68-70(60(4,5)6,54-26-17-12-18-27-54)55-28-19-13-20-29-55)44-53(43-51)65-39-41-67-59(63)48(3)46-69-71(61(7,8)9,56-30-21-14-22-31-56)57-32-23-15-24-33-57/h12-15,17-24,26-33,42-44,49-50H,2-3,10-11,16,25,34-41,45-46H2,1,4-9H3
InChIKeyYUVYWCADZQYTHY-UHFFFAOYSA-N
MW995.46 g/mol
LogP11.65
Rot. Bonds25

About 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate

2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate (PubChem CID 140881260) has the molecular formula C61H78O8Si2 and a molecular weight of 995.46 g/mol. Its IUPAC name is 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate.

Molecular Properties

Compound Name2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
PubChem CID140881260
Molecular FormulaC61H78O8Si2
Molecular Weight995.46 g/mol
Exact Mass994.52
IUPAC Name2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
SMILESC=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C2CCC(CCCCC)CC2)c1
InChIInChI=1S/C61H78O8Si2/c1-10-11-16-25-49-34-36-50(37-35-49)51-42-52(64-38-40-66-58(62)47(2)45-68-70(60(4,5)6,54-26-17-12-18-27-54)55-28-19-13-20-29-55)44-53(43-51)65-39-41-67-59(63)48(3)46-69-71(61(7,8)9,56-30-21-14-22-31-56)57-32-23-15-24-33-57/h12-15,17-24,26-33,42-44,49-50H,2-3,10-11,16,25,34-41,45-46H2,1,4-9H3
InChIKeyYUVYWCADZQYTHY-UHFFFAOYSA-N
XLogP11.65
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.46
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate with MolForge

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Related Compounds

3-[4-(4-pentylcyclohexyl)cyclohexyl]propyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827410
2-[3-(2-methoxyethoxy)-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 145275825
[4-(4-decylcyclohexyl)cyclohexyl] 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate
CID 140827420
2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[2-methyl-4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 134244892
3-[2-[3-[2-(4,4-dihydroxy-2-methylidenebutanoyl)oxyethoxy]-5-[4-(4-pentylcyclohexyl)phenyl]phenoxy]ethoxycarbonyl]but-3-enoic acid
CID 134245161
2-[3-[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]-5-[4-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)phenyl]phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 135164111
2-[3-[6-hydroxy-5-(hydroxymethyl)-3-methylidenehexoxy]-5-[4-(4-pentylcyclohexyl)phenyl]phenoxy]ethyl 5-hydroxy-4-(hydroxymethyl)-2-methylidenepentanoate
CID 142282622
2-[4-(4-pentylcyclohexyl)phenoxy]ethyl propanoate
CID 166645664
3-[4-[2-ethoxy-3-[4-[3-[2-(hydroxymethyl)prop-2-enoyloxy]propoxy]phenyl]-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]propyl 2-(hydroxymethyl)prop-2-enoate
CID 154609909
2-[2-(3-hydroxypropyl)-3-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193181
[3-[3-(hydroxymethyl)buta-1,3-dien-2-yloxymethoxy]-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenoxy]methyl 2-(hydroxymethyl)prop-2-enoate
CID 161330207
[4-[4-[4-[2-[2-(methoxymethyl)prop-2-enoyloxy]ethoxy]-2-(4-pentylcyclohexyl)phenyl]phenyl]phenyl] 2-(hydroxymethyl)prop-2-enoate
CID 146668165

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
The IUPAC name of 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate (CID 140881260) is 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate.
What is the SMILES notation for 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
The canonical SMILES for 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate is C=C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCCOc1cc(OCCOC(=O)C(=C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C2CCC(CCCCC)CC2)c1.
What is the InChIKey of 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
The InChIKey is YUVYWCADZQYTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H78O8Si2/c1-10-11-16-25-49-34-36-50(37-35-49)51-42-52(64-38-40-66-58(62)47(2)45-68-70(60(4,5)6,54-26-17-12-18-27-54)55-28-19-13-20-29-55)44-53(43-51)65-39-41-67-59(63)48(3)46-69-71(61(7,8)9,56-30-21-14-22-31-56)57-32-23-15-24-33-57/h12-15,17-24,26-33,42-44,49-50H,2-3,10-11,16,25,34-41,45-46H2,1,4-9H3.
What are the key properties of 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate?
2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate has a molecular weight of 995.46 g/mol, XLogP of 11.65, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoyloxy]ethoxy]-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 140881260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).