tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane

C30H62O6Si2 — CID 90766471

IUPACtert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
SMILESCCC1O[C@@H](OCC2O[C@@H](C)C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C(C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C30H62O6Si2/c1-17-23-20(3)25(31-12)21(4)28(34-23)32-18-24-27(36-38(15,16)30(9,10)11)26(19(2)22(5)33-24)35-37(13,14)29(6,7)8/h19-28H,17-18H2,1-16H3/t19?,20-,21?,22+,23?,24?,25+,26-,27-,28-/m1/s1
InChIKeyCNVBQFHAOOGKMB-MWSCWMOSSA-N
MW574.99 g/mol
LogP7.63
Rot. Bonds9

About tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane (PubChem CID 90766471) has the molecular formula C30H62O6Si2 and a molecular weight of 574.99 g/mol. Its IUPAC name is tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
PubChem CID90766471
Molecular FormulaC30H62O6Si2
Molecular Weight574.99 g/mol
Exact Mass574.41
IUPAC Nametert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane
SMILESCCC1O[C@@H](OCC2O[C@@H](C)C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C(C)[C@@H](OC)[C@@H]1C
InChIInChI=1S/C30H62O6Si2/c1-17-23-20(3)25(31-12)21(4)28(34-23)32-18-24-27(36-38(15,16)30(9,10)11)26(19(2)22(5)33-24)35-37(13,14)29(6,7)8/h19-28H,17-18H2,1-16H3/t19?,20-,21?,22+,23?,24?,25+,26-,27-,28-/m1/s1
InChIKeyCNVBQFHAOOGKMB-MWSCWMOSSA-N
XLogP7.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.99
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane (CID 90766471) is tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane is CCC1O[C@@H](OCC2O[C@@H](C)C(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C(C)[C@@H](OC)[C@@H]1C.
What is the InChIKey of tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
The InChIKey is CNVBQFHAOOGKMB-MWSCWMOSSA-N. The full InChI is InChI=1S/C30H62O6Si2/c1-17-23-20(3)25(31-12)21(4)28(34-23)32-18-24-27(36-38(15,16)30(9,10)11)26(19(2)22(5)33-24)35-37(13,14)29(6,7)8/h19-28H,17-18H2,1-16H3/t19?,20-,21?,22+,23?,24?,25+,26-,27-,28-/m1/s1.
What are the key properties of tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane has a molecular weight of 574.99 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[(2R,4S,5R)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxymethyl]-5,6-dimethyloxan-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 90766471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).