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

C27H56O6Si2 — CID 135005975

IUPAC[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate
SMILESCOC1OC(C)C(OC(=O)C[C@@H](C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O6Si2/c1-18(25(3,4)5)17-20(28)31-21-19(2)30-24(29-12)23(33-35(15,16)27(9,10)11)22(21)32-34(13,14)26(6,7)8/h18-19,21-24H,17H2,1-16H3/t18-,19?,21?,22?,23?,24?/m1/s1
InChIKeyRGBCCCFVJSEKQR-UNNLOPAHSA-N
MW532.91 g/mol
LogP7.14
Rot. Bonds8

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

[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate (PubChem CID 135005975) has the molecular formula C27H56O6Si2 and a molecular weight of 532.91 g/mol. Its IUPAC name is [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate.

Molecular Properties

Compound Name[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate
PubChem CID135005975
Molecular FormulaC27H56O6Si2
Molecular Weight532.91 g/mol
Exact Mass532.36
IUPAC Name[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate
SMILESCOC1OC(C)C(OC(=O)C[C@@H](C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O6Si2/c1-18(25(3,4)5)17-20(28)31-21-19(2)30-24(29-12)23(33-35(15,16)27(9,10)11)22(21)32-34(13,14)26(6,7)8/h18-19,21-24H,17H2,1-16H3/t18-,19?,21?,22?,23?,24?/m1/s1
InChIKeyRGBCCCFVJSEKQR-UNNLOPAHSA-N
XLogP7.14
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.91
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Propylpentanoic acid, 2,3,4,6-tetra(trimethylsilyl)-1-glucopyranoside
CID 523708
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1,3-dioxan-2-yl)hexanoate
CID 24814757
[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-methyl-3-oxobutanoate
CID 134835537
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] propanoate
CID 134867142
[(2S,3R,6R)-6-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(tributylsilyloxymethyl)oxan-3-yl]methyl 2,2-dimethylpropanoate
CID 134884325
[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] (3S)-3-methylpentanoate
CID 135006097
methyl (3R,4R)-6-[tert-butyl(dimethyl)silyl]oxy-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-trimethylsilyl-1,3-dioxan-1-ium-2-yl)hexanoate
CID 135009711
(2R,4R,5S)-4-t-butyldimethylsiloxymethyl-5-ethoxycarbonylmethyl-2-methyl-1,3-dioxane
CID 14621461
[3,5-Diacetyloxy-4-methyl-6-(2-trimethylsilylethoxy)oxan-2-yl]methyl acetate
CID 58435425
[(2R,3R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] 2-deuteriopropanoate
CID 140129692

Frequently Asked Questions

What is the IUPAC name of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate?
The IUPAC name of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate (CID 135005975) is [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate.
What is the SMILES notation for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate?
The canonical SMILES for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate is COC1OC(C)C(OC(=O)C[C@@H](C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate?
The InChIKey is RGBCCCFVJSEKQR-UNNLOPAHSA-N. The full InChI is InChI=1S/C27H56O6Si2/c1-18(25(3,4)5)17-20(28)31-21-19(2)30-24(29-12)23(33-35(15,16)27(9,10)11)22(21)32-34(13,14)26(6,7)8/h18-19,21-24H,17H2,1-16H3/t18-,19?,21?,22?,23?,24?/m1/s1.
What are the key properties of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate?
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate has a molecular weight of 532.91 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (3R)-3,4,4-trimethylpentanoate is sourced from PubChem (CID 135005975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).