2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane

C29H62O4Si3 — CID 101451500

IUPAC2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H](C)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O4Si3/c1-18-22(2)26-25(33-36(16,17)29(9,10)11)21-24(32-35(14,15)28(6,7)8)23(31-26)19-20-30-34(12,13)27(3,4)5/h18,22-26H,1,19-21H2,2-17H3/t22-,23-,24-,25+,26+/m1/s1
InChIKeyKEVCVIOJUWGMTM-OYHZZYGJSA-N
MW559.07 g/mol
LogP9.16
Rot. Bonds10

About 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane

2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 101451500) has the molecular formula C29H62O4Si3 and a molecular weight of 559.07 g/mol. Its IUPAC name is 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID101451500
Molecular FormulaC29H62O4Si3
Molecular Weight559.07 g/mol
Exact Mass558.40
IUPAC Name2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H](C)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O4Si3/c1-18-22(2)26-25(33-36(16,17)29(9,10)11)21-24(32-35(14,15)28(6,7)8)23(31-26)19-20-30-34(12,13)27(3,4)5/h18,22-26H,1,19-21H2,2-17H3/t22-,23-,24-,25+,26+/m1/s1
InChIKeyKEVCVIOJUWGMTM-OYHZZYGJSA-N
XLogP9.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
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 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane (CID 101451500) is 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane is C=C[C@@H](C)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is KEVCVIOJUWGMTM-OYHZZYGJSA-N. The full InChI is InChI=1S/C29H62O4Si3/c1-18-22(2)26-25(33-36(16,17)29(9,10)11)21-24(32-35(14,15)28(6,7)8)23(31-26)19-20-30-34(12,13)27(3,4)5/h18,22-26H,1,19-21H2,2-17H3/t22-,23-,24-,25+,26+/m1/s1.
What are the key properties of 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 559.07 g/mol, XLogP of 9.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,5S,6S)-6-[(2R)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101451500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).