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

C28H60O4Si3 — CID 175776548

IUPAC[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H]1O[C@H](CO[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/C28H60O4Si3/c1-18-21(2)25-23(32-35(16,17)28(9,10)11)19-22(31-34(14,15)27(6,7)8)24(30-25)20-29-33(12,13)26(3,4)5/h18,21-25H,1,19-20H2,2-17H3/t21-,22-,23-,24+,25-/m0/s1
InChIKeyDZWALKJDQBIQLZ-BDUWWWMKSA-N
MW545.04 g/mol
LogP8.77
Rot. Bonds9

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

[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 175776548) has the molecular formula C28H60O4Si3 and a molecular weight of 545.04 g/mol. Its IUPAC name is [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID175776548
Molecular FormulaC28H60O4Si3
Molecular Weight545.04 g/mol
Exact Mass544.38
IUPAC Name[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C[C@H](C)[C@@H]1O[C@H](CO[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/C28H60O4Si3/c1-18-21(2)25-23(32-35(16,17)28(9,10)11)19-22(31-34(14,15)27(6,7)8)24(30-25)20-29-33(12,13)26(3,4)5/h18,21-25H,1,19-20H2,2-17H3/t21-,22-,23-,24+,25-/m0/s1
InChIKeyDZWALKJDQBIQLZ-BDUWWWMKSA-N
XLogP8.77
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.04
LogP ≤ 58.77
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane (CID 175776548) is [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane is C=C[C@H](C)[C@@H]1O[C@H](CO[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 [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DZWALKJDQBIQLZ-BDUWWWMKSA-N. The full InChI is InChI=1S/C28H60O4Si3/c1-18-21(2)25-23(32-35(16,17)28(9,10)11)19-22(31-34(14,15)27(6,7)8)24(30-25)20-29-33(12,13)26(3,4)5/h18,21-25H,1,19-20H2,2-17H3/t21-,22-,23-,24+,25-/m0/s1.
What are the key properties of [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 545.04 g/mol, XLogP of 8.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S,6S)-6-[(2S)-but-3-en-2-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 175776548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).