methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate

C51H64O12Si — CID 102129055

IUPACmethyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate
SMILESCOCCOCOc1ccc(-c2cc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(OC)c(-c3c(OC)c(C(=O)OC)cc(-c4ccc(OCOC)cc4)c3OC)c2OC)cc1
InChIInChI=1S/C51H64O12Si/c1-32(2)64(33(3)4,34(5)6)63-40-24-18-37(19-25-40)42-28-41(35-16-22-39(23-17-35)62-31-60-27-26-53-7)47(55-9)45(48(42)56-10)46-49(57-11)43(29-44(50(46)58-12)51(52)59-13)36-14-20-38(21-15-36)61-30-54-8/h14-25,28-29,32-34H,26-27,30-31H2,1-13H3
InChIKeyYYZAQMOCWNYWAZ-UHFFFAOYSA-N
MW897.15 g/mol
LogP11.71
Rot. Bonds23

About methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate

methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate (PubChem CID 102129055) has the molecular formula C51H64O12Si and a molecular weight of 897.15 g/mol. Its IUPAC name is methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate
PubChem CID102129055
Molecular FormulaC51H64O12Si
Molecular Weight897.15 g/mol
Exact Mass896.42
IUPAC Namemethyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate
SMILESCOCCOCOc1ccc(-c2cc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(OC)c(-c3c(OC)c(C(=O)OC)cc(-c4ccc(OCOC)cc4)c3OC)c2OC)cc1
InChIInChI=1S/C51H64O12Si/c1-32(2)64(33(3)4,34(5)6)63-40-24-18-37(19-25-40)42-28-41(35-16-22-39(23-17-35)62-31-60-27-26-53-7)47(55-9)45(48(42)56-10)46-49(57-11)43(29-44(50(46)58-12)51(52)59-13)36-14-20-38(21-15-36)61-30-54-8/h14-25,28-29,32-34H,26-27,30-31H2,1-13H3
InChIKeyYYZAQMOCWNYWAZ-UHFFFAOYSA-N
XLogP11.71
TPSA118.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500897.15
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate with MolForge

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Related Compounds

methyl 2-iodo-4-tri(propan-2-yl)silyloxybenzoate
CID 11396381
[2-(4-hydroxyphenyl)-6-(methoxymethoxy)naphthalen-1-yl]-[4-tri(propan-2-yl)silyloxyphenyl]methanone
CID 18676002
methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
CID 13134332
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
ethyl 2-chloro-4-[4-tri(propan-2-yl)silyloxyphenyl]pyridine-3-carboxylate
CID 102590449
methyl 5-(2-methoxyethoxy)-2-[4-(2-methoxyethoxy)phenyl]sulfanylbenzoate
CID 130333007
2-[4-(methoxymethoxy)phenyl]propanoic acid
CID 117046311
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
4-(methoxymethoxy)-3-[4-(methoxymethoxy)phenyl]phenol
CID 71619534
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
methyl 2-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]phenyl]-5-methoxybenzoate
CID 126427299

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate?
The IUPAC name of methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate (CID 102129055) is methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate.
What is the SMILES notation for methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate?
The canonical SMILES for methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate is COCCOCOc1ccc(-c2cc(-c3ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc3)c(OC)c(-c3c(OC)c(C(=O)OC)cc(-c4ccc(OCOC)cc4)c3OC)c2OC)cc1.
What is the InChIKey of methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate?
The InChIKey is YYZAQMOCWNYWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H64O12Si/c1-32(2)64(33(3)4,34(5)6)63-40-24-18-37(19-25-40)42-28-41(35-16-22-39(23-17-35)62-31-60-27-26-53-7)47(55-9)45(48(42)56-10)46-49(57-11)43(29-44(50(46)58-12)51(52)59-13)36-14-20-38(21-15-36)61-30-54-8/h14-25,28-29,32-34H,26-27,30-31H2,1-13H3.
What are the key properties of methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate?
methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate has a molecular weight of 897.15 g/mol, XLogP of 11.71, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,6-dimethoxy-3-[4-(2-methoxyethoxymethoxy)phenyl]-5-[4-tri(propan-2-yl)silyloxyphenyl]phenyl]-2,4-dimethoxy-5-[4-(methoxymethoxy)phenyl]benzoate is sourced from PubChem (CID 102129055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).