[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane

C31H68O5Si4 — CID 101232597

IUPAC[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H68O5Si4/c1-23-25(35-39(18,19)30(8,9)10)27(36-40(20,21)31(11,12)13)26(33-23)24(34-38(16,17)29(5,6)7)22-32-37(14,15)28(2,3)4/h24-27H,1,22H2,2-21H3/t24-,25+,26-,27-/m1/s1
InChIKeyIPWPCOWULILSIB-HVWQDESWSA-N
MW633.22 g/mol
LogP10.09
Rot. Bonds10

About [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101232597) has the molecular formula C31H68O5Si4 and a molecular weight of 633.22 g/mol. Its IUPAC name is [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101232597
Molecular FormulaC31H68O5Si4
Molecular Weight633.22 g/mol
Exact Mass632.41
IUPAC Name[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H68O5Si4/c1-23-25(35-39(18,19)30(8,9)10)27(36-40(20,21)31(11,12)13)26(33-23)24(34-38(16,17)29(5,6)7)22-32-37(14,15)28(2,3)4/h24-27H,1,22H2,2-21H3/t24-,25+,26-,27-/m1/s1
InChIKeyIPWPCOWULILSIB-HVWQDESWSA-N
XLogP10.09
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.22
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane (CID 101232597) is [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane is C=C1O[C@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is IPWPCOWULILSIB-HVWQDESWSA-N. The full InChI is InChI=1S/C31H68O5Si4/c1-23-25(35-39(18,19)30(8,9)10)27(36-40(20,21)31(11,12)13)26(33-23)24(34-38(16,17)29(5,6)7)22-32-37(14,15)28(2,3)4/h24-27H,1,22H2,2-21H3/t24-,25+,26-,27-/m1/s1.
What are the key properties of [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 633.22 g/mol, XLogP of 10.09, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101232597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).