[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate

C24H48O7Si2 — CID 134835537

IUPAC[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate
SMILESCO[C@H]1OC(C)[C@@H](OC(=O)C(C)C(C)=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O7Si2/c1-15(16(2)25)21(26)29-18-17(3)28-22(27-10)20(31-33(13,14)24(7,8)9)19(18)30-32(11,12)23(4,5)6/h15,17-20,22H,1-14H3/t15?,17?,18-,19?,20?,22+/m1/s1
InChIKeyVPNANEWEDDJMNT-SNSNTUEWSA-N
MW504.81 g/mol
LogP5.30
Rot. Bonds8

About [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate

[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate (PubChem CID 134835537) has the molecular formula C24H48O7Si2 and a molecular weight of 504.81 g/mol. Its IUPAC name is [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate.

Molecular Properties

Compound Name[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate
PubChem CID134835537
Molecular FormulaC24H48O7Si2
Molecular Weight504.81 g/mol
Exact Mass504.29
IUPAC Name[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate
SMILESCO[C@H]1OC(C)[C@@H](OC(=O)C(C)C(C)=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O7Si2/c1-15(16(2)25)21(26)29-18-17(3)28-22(27-10)20(31-33(13,14)24(7,8)9)19(18)30-32(11,12)23(4,5)6/h15,17-20,22H,1-14H3/t15?,17?,18-,19?,20?,22+/m1/s1
InChIKeyVPNANEWEDDJMNT-SNSNTUEWSA-N
XLogP5.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.81
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate 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

2-Propylpentanoic acid, 2,3,4,6-tetra(trimethylsilyl)-1-glucopyranoside
CID 523708
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 134867142
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3,4,4-trimethylpentanoate
CID 135000137
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3-methylpentanoate
CID 135000268
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate
CID 135005975
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3S)-3-methylpentanoate
CID 135006097
TBDMS(-3)[TBDMS(-4)][TBDMS(-6)]b-Gal1Me2Ac
CID 14408414
[(2R,3R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-deuteriopropanoate
CID 140129692
[(2R,3R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5,6-trimethoxyoxan-3-yl] 2-deuteriopropanoate
CID 140129693
methyl (4R)-4-[(2R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxypentanoate
CID 160249398
[(3R,4S,5R,6R)-2-acetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-3-yl] acetate
CID 173609881
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoate
CID 173764078

Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate?
The IUPAC name of [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate (CID 134835537) is [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate.
What is the SMILES notation for [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate?
The canonical SMILES for [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate is CO[C@H]1OC(C)[C@@H](OC(=O)C(C)C(C)=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate?
The InChIKey is VPNANEWEDDJMNT-SNSNTUEWSA-N. The full InChI is InChI=1S/C24H48O7Si2/c1-15(16(2)25)21(26)29-18-17(3)28-22(27-10)20(31-33(13,14)24(7,8)9)19(18)30-32(11,12)23(4,5)6/h15,17-20,22H,1-14H3/t15?,17?,18-,19?,20?,22+/m1/s1.
What are the key properties of [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate?
[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate has a molecular weight of 504.81 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate is sourced from PubChem (CID 134835537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).