(1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one

C19H34O7Si — CID 10787313

IUPAC(1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one
SMILESCC1(C)O[C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@]3(CO[Si](C)(C)C(C)(C)C)C[C@H]2O1
InChIInChI=1S/C19H34O7Si/c1-16(2,3)27(8,9)21-11-19-10-12-15(25-17(4,5)23-12)22-14(20)13(19)24-18(6,7)26-19/h12-13,15H,10-11H2,1-9H3/t12-,13+,15-,19+/m1/s1
InChIKeyZNVQJXYIWNCIGE-IZSNYMMISA-N
MW402.56 g/mol
LogP3.32
Rot. Bonds3

About (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one

(1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one (PubChem CID 10787313) has the molecular formula C19H34O7Si and a molecular weight of 402.56 g/mol. Its IUPAC name is (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one.

Molecular Properties

Compound Name(1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one
PubChem CID10787313
Molecular FormulaC19H34O7Si
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name(1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one
SMILESCC1(C)O[C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@]3(CO[Si](C)(C)C(C)(C)C)C[C@H]2O1
InChIInChI=1S/C19H34O7Si/c1-16(2,3)27(8,9)21-11-19-10-12-15(25-17(4,5)23-12)22-14(20)13(19)24-18(6,7)26-19/h12-13,15H,10-11H2,1-9H3/t12-,13+,15-,19+/m1/s1
InChIKeyZNVQJXYIWNCIGE-IZSNYMMISA-N
XLogP3.32
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one 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 (4R,5S)-5-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-triethylsilyloxypropan-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11539292
2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
CID 139067157
dimethyl (4R,5R)-2,2-dimethyl-4-(3-triethylsilyloxybutyl)-1,3-dioxolane-4,5-dicarboxylate
CID 155932018
(1R,3R,7S,10R)-1-(fluoromethyl)-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one
CID 10827342
Diacetone-D-galacturonic acid, TBDMS derivative
CID 91697282
methyl 2-[(2R,3S,4R)-3,4,5-triacetyloxy-2-[2-[2-[2-tri(propan-2-yl)silyloxyethoxy]ethoxy]ethoxymethyl]oxolan-2-yl]acetate
CID 170548820
(3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-1,7-dioxaspiro[4.4]nonan-8-one
CID 10496828
methyl (1R,3R,7S,10R)-5,5-diethyl-12,12-dimethyl-9-oxo-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecane-3-carboxylate
CID 10497610
(1R,3R,7S,10R)-1-(2-methoxypropan-2-yl)-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one
CID 10568412
methyl (1R,3R,7S,10R)-12,12-diethyl-5,5-dimethyl-9-oxo-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecane-3-carboxylate
CID 10641162
methyl (1R,3R,7S,10R)-12,12-diethyl-5,5-dimethyl-9-oxo-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecane-1-carboxylate
CID 10665118
methyl (1R,3R,7S,10R)-5,5-diethyl-12,12-dimethyl-9-oxo-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecane-1-carboxylate
CID 10665119

Frequently Asked Questions

What is the IUPAC name of (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one?
The IUPAC name of (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one (CID 10787313) is (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one.
What is the SMILES notation for (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one?
The canonical SMILES for (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one is CC1(C)O[C@H]2OC(=O)[C@@H]3OC(C)(C)O[C@]3(CO[Si](C)(C)C(C)(C)C)C[C@H]2O1.
What is the InChIKey of (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one?
The InChIKey is ZNVQJXYIWNCIGE-IZSNYMMISA-N. The full InChI is InChI=1S/C19H34O7Si/c1-16(2,3)27(8,9)21-11-19-10-12-15(25-17(4,5)23-12)22-14(20)13(19)24-18(6,7)26-19/h12-13,15H,10-11H2,1-9H3/t12-,13+,15-,19+/m1/s1.
What are the key properties of (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one?
(1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one has a molecular weight of 402.56 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,7S,10R)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,12,12-tetramethyl-4,6,8,11,13-pentaoxatricyclo[8.3.0.03,7]tridecan-9-one is sourced from PubChem (CID 10787313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).