methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate

C22H40O7Si — CID 10599428

IUPACmethyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
SMILESCCC1(CC)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3C[C@@]2(C(=O)OC)O1
InChIInChI=1S/C22H40O7Si/c1-11-21(12-2)27-17-16(28-30(9,10)19(3,4)5)15-14(25-20(6,7)26-15)13-22(17,29-21)18(23)24-8/h14-17H,11-13H2,1-10H3/t14-,15-,16-,17+,22-/m1/s1
InChIKeyKCZJZZQUYJVJMN-GQTOQBHESA-N
MW444.64 g/mol
LogP4.14
Rot. Bonds5

About methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate

methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate (PubChem CID 10599428) has the molecular formula C22H40O7Si and a molecular weight of 444.64 g/mol. Its IUPAC name is methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
PubChem CID10599428
Molecular FormulaC22H40O7Si
Molecular Weight444.64 g/mol
Exact Mass444.25
IUPAC Namemethyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
SMILESCCC1(CC)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3C[C@@]2(C(=O)OC)O1
InChIInChI=1S/C22H40O7Si/c1-11-21(12-2)27-17-16(28-30(9,10)19(3,4)5)15-14(25-20(6,7)26-15)13-22(17,29-21)18(23)24-8/h14-17H,11-13H2,1-10H3/t14-,15-,16-,17+,22-/m1/s1
InChIKeyKCZJZZQUYJVJMN-GQTOQBHESA-N
XLogP4.14
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.64
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate 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

Hdeszaggyokpfh-kzffxbsxsa-
CID 21726204
(1S,4S,5S,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 11973877
methyl (1S,2S,6S,9R,11S)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11-carboxylate
CID 17759245
(2'R,3'aS,7'R,7'aR)-7'-[tert-butyl(dimethyl)silyl]oxy-2'-methoxy-3'a-methylspiro[1,3-dioxolane-2,4'-3,5,6,7-tetrahydro-2H-1-benzofuran]-7'a-carbaldehyde
CID 102276400
(1R,2R,6R,8S)-8-methoxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
CID 135009205
(1R,2R,6R,8S)-8-ethoxy-4,4-dimethyl-3,5,10-trioxatricyclo[6.2.1.02,6]undecan-9-one
CID 135009660
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-hydroxyacetate
CID 166449036
ethyl (2R)-2-[(3aR,5S,7R,7aS)-2,2-dimethyl-4-oxo-7-triethylsilyloxy-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetate
CID 168333537
Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate
CID 617725
(3'aR,4S,7'R,7'aR)-7'-(methoxymethoxy)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,5'-3a,6,7,7a-tetrahydro-1,3-benzodioxole]-4'-one
CID 10615310
methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
CID 10621849
methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
CID 10709325

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The IUPAC name of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate (CID 10599428) is methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate.
What is the SMILES notation for methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The canonical SMILES for methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate is CCC1(CC)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3OC(C)(C)O[C@@H]3C[C@@]2(C(=O)OC)O1.
What is the InChIKey of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The InChIKey is KCZJZZQUYJVJMN-GQTOQBHESA-N. The full InChI is InChI=1S/C22H40O7Si/c1-11-21(12-2)27-17-16(28-30(9,10)19(3,4)5)15-14(25-20(6,7)26-15)13-22(17,29-21)18(23)24-8/h14-17H,11-13H2,1-10H3/t14-,15-,16-,17+,22-/m1/s1.
What are the key properties of methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate has a molecular weight of 444.64 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,7R,8R,9S)-8-[tert-butyl(dimethyl)silyl]oxy-11,11-diethyl-5,5-dimethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate is sourced from PubChem (CID 10599428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).