[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane

C29H62O4Si3 — CID 10698083

IUPAC[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/[C@@H]1O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C29H62O4Si3/c1-18-19-23-22(2)24(32-35(14,15)28(6,7)8)20-25(31-23)26(33-36(16,17)29(9,10)11)21-30-34(12,13)27(3,4)5/h18-19,22-26H,20-21H2,1-17H3/b19-18+/t22-,23+,24-,25+,26-/m1/s1
InChIKeyCXJFLHROZSDZQS-FUPNINEFSA-N
MW559.07 g/mol
LogP9.16
Rot. Bonds9

About [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane

[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10698083) has the molecular formula C29H62O4Si3 and a molecular weight of 559.07 g/mol. Its IUPAC name is [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10698083
Molecular FormulaC29H62O4Si3
Molecular Weight559.07 g/mol
Exact Mass558.40
IUPAC Name[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/[C@@H]1O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C29H62O4Si3/c1-18-19-23-22(2)24(32-35(14,15)28(6,7)8)20-25(31-23)26(33-36(16,17)29(9,10)11)21-30-34(12,13)27(3,4)5/h18-19,22-26H,20-21H2,1-17H3/b19-18+/t22-,23+,24-,25+,26-/m1/s1
InChIKeyCXJFLHROZSDZQS-FUPNINEFSA-N
XLogP9.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.07
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane (CID 10698083) is [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane is C/C=C/[C@@H]1O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CXJFLHROZSDZQS-FUPNINEFSA-N. The full InChI is InChI=1S/C29H62O4Si3/c1-18-19-23-22(2)24(32-35(14,15)28(6,7)8)20-25(31-23)26(33-36(16,17)29(9,10)11)21-30-34(12,13)27(3,4)5/h18-19,22-26H,20-21H2,1-17H3/b19-18+/t22-,23+,24-,25+,26-/m1/s1.
What are the key properties of [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane?
[(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 559.07 g/mol, XLogP of 9.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,6S)-6-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10698083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).