methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate

C44H84O8Si3 — CID 11787712

IUPACmethyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate
SMILESCC[Si](CC)(CC)O[C@H]([C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)[C@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C44H84O8Si3/c1-22-55(23-2,24-3)52-39(34(7)40(47-16)41(42(45)48-17)51-54(20,21)44(12,13)14)33(6)38(50-53(18,19)43(9,10)11)32(5)29-31(4)35(8)49-30-36-25-27-37(46-15)28-26-36/h25-29,31,33-35,38-41H,22-24,30H2,1-21H3/b32-29+/t31-,33+,34+,35-,38-,39-,40-,41+/m0/s1
InChIKeyHTTRBALBMPQHDS-NVZZMXHUSA-N
MW825.41 g/mol
LogP11.81
Rot. Bonds23

About methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate

methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate (PubChem CID 11787712) has the molecular formula C44H84O8Si3 and a molecular weight of 825.41 g/mol. Its IUPAC name is methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate.

Molecular Properties

Compound Namemethyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate
PubChem CID11787712
Molecular FormulaC44H84O8Si3
Molecular Weight825.41 g/mol
Exact Mass824.55
IUPAC Namemethyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate
SMILESCC[Si](CC)(CC)O[C@H]([C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)[C@H](C)OCc1ccc(OC)cc1
InChIInChI=1S/C44H84O8Si3/c1-22-55(23-2,24-3)52-39(34(7)40(47-16)41(42(45)48-17)51-54(20,21)44(12,13)14)33(6)38(50-53(18,19)43(9,10)11)32(5)29-31(4)35(8)49-30-36-25-27-37(46-15)28-26-36/h25-29,31,33-35,38-41H,22-24,30H2,1-21H3/b32-29+/t31-,33+,34+,35-,38-,39-,40-,41+/m0/s1
InChIKeyHTTRBALBMPQHDS-NVZZMXHUSA-N
XLogP11.81
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.41
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate?
The IUPAC name of methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate (CID 11787712) is methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate.
What is the SMILES notation for methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate?
The canonical SMILES for methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate is CC[Si](CC)(CC)O[C@H]([C@@H](C)[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)/C(C)=C/[C@H](C)[C@H](C)OCc1ccc(OC)cc1.
What is the InChIKey of methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate?
The InChIKey is HTTRBALBMPQHDS-NVZZMXHUSA-N. The full InChI is InChI=1S/C44H84O8Si3/c1-22-55(23-2,24-3)52-39(34(7)40(47-16)41(42(45)48-17)51-54(20,21)44(12,13)14)33(6)38(50-53(18,19)43(9,10)11)32(5)29-31(4)35(8)49-30-36-25-27-37(46-15)28-26-36/h25-29,31,33-35,38-41H,22-24,30H2,1-21H3/b32-29+/t31-,33+,34+,35-,38-,39-,40-,41+/m0/s1.
What are the key properties of methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate?
methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate has a molecular weight of 825.41 g/mol, XLogP of 11.81, 23 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R,3S,4S,5R,6S,7R,10S,11S)-2,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-11-[(4-methoxyphenyl)methoxy]-4,6,8,10-tetramethyl-5-triethylsilyloxydodec-8-enoate is sourced from PubChem (CID 11787712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).