dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate

C48H104O9Si5 — CID 134934797

IUPACdimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
SMILESCOC(=O)C[C@H](C[C@@H](CC(C[C@@H](C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H104O9Si5/c1-35(2)62(36(3)4,37(5)6)57-40(29-38(53-58(21,22)45(7,8)9)31-41(33-43(49)51-19)55-60(25,26)47(13,14)15)30-39(54-59(23,24)46(10,11)12)32-42(34-44(50)52-20)56-61(27,28)48(16,17)18/h35-42H,29-34H2,1-28H3/t38-,39+,40?,41-,42-/m0/s1
InChIKeyRZAUKVTYMFZIAI-WNYVQMDYSA-N
MW965.78 g/mol
LogP14.80
Rot. Bonds25

About dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate

dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate (PubChem CID 134934797) has the molecular formula C48H104O9Si5 and a molecular weight of 965.78 g/mol. Its IUPAC name is dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate.

Molecular Properties

Compound Namedimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
PubChem CID134934797
Molecular FormulaC48H104O9Si5
Molecular Weight965.78 g/mol
Exact Mass964.65
IUPAC Namedimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
SMILESCOC(=O)C[C@H](C[C@@H](CC(C[C@@H](C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C48H104O9Si5/c1-35(2)62(36(3)4,37(5)6)57-40(29-38(53-58(21,22)45(7,8)9)31-41(33-43(49)51-19)55-60(25,26)47(13,14)15)30-39(54-59(23,24)46(10,11)12)32-42(34-44(50)52-20)56-61(27,28)48(16,17)18/h35-42H,29-34H2,1-28H3/t38-,39+,40?,41-,42-/m0/s1
InChIKeyRZAUKVTYMFZIAI-WNYVQMDYSA-N
XLogP14.80
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.78
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
Methyl (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
CID 11988980
methyl (3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(2S)-5-oxooxolan-2-yl]hexanoate
CID 14262402
dimethyl (5R,9S)-5,9-dihydroxy-3,11-dioxo-7-tri(propan-2-yl)silyloxytridecanedioate
CID 15162943
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
methyl (3S,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535
Methyl 5,6,13,14-tetra-(trimethylsilyloxy)-docosanoate
CID 129727365
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481

Frequently Asked Questions

What is the IUPAC name of dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate?
The IUPAC name of dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate (CID 134934797) is dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate.
What is the SMILES notation for dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate?
The canonical SMILES for dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate is COC(=O)C[C@H](C[C@@H](CC(C[C@@H](C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate?
The InChIKey is RZAUKVTYMFZIAI-WNYVQMDYSA-N. The full InChI is InChI=1S/C48H104O9Si5/c1-35(2)62(36(3)4,37(5)6)57-40(29-38(53-58(21,22)45(7,8)9)31-41(33-43(49)51-19)55-60(25,26)47(13,14)15)30-39(54-59(23,24)46(10,11)12)32-42(34-44(50)52-20)56-61(27,28)48(16,17)18/h35-42H,29-34H2,1-28H3/t38-,39+,40?,41-,42-/m0/s1.
What are the key properties of dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate?
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate has a molecular weight of 965.78 g/mol, XLogP of 14.80, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate is sourced from PubChem (CID 134934797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).