2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one

C30H64O6Si4 — CID 554022

IUPAC2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O6Si4/c1-27(2,3)37(13,14)32-21-22(34-38(15,16)28(4,5)6)23-24(35-39(17,18)29(7,8)9)25(26(31)33-23)36-40(19,20)30(10,11)12/h22-23H,21H2,1-20H3
InChIKeyQOISHJCNSPJGSE-UHFFFAOYSA-N
MW633.18 g/mol
LogP9.58
Rot. Bonds10

About 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one

2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one (PubChem CID 554022) has the molecular formula C30H64O6Si4 and a molecular weight of 633.18 g/mol. Its IUPAC name is 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one.

Molecular Properties

Compound Name2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one
PubChem CID554022
Molecular FormulaC30H64O6Si4
Molecular Weight633.18 g/mol
Exact Mass632.38
IUPAC Name2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one
SMILESCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H64O6Si4/c1-27(2,3)37(13,14)32-21-22(34-38(15,16)28(4,5)6)23-24(35-39(17,18)29(7,8)9)25(26(31)33-23)36-40(19,20)30(10,11)12/h22-23H,21H2,1-20H3
InChIKeyQOISHJCNSPJGSE-UHFFFAOYSA-N
XLogP9.58
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.18
LogP ≤ 59.58
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 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one?
The IUPAC name of 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one (CID 554022) is 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one.
What is the SMILES notation for 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one?
The canonical SMILES for 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one is CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(=O)C(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one?
The InChIKey is QOISHJCNSPJGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O6Si4/c1-27(2,3)37(13,14)32-21-22(34-38(15,16)28(4,5)6)23-24(35-39(17,18)29(7,8)9)25(26(31)33-23)36-40(19,20)30(10,11)12/h22-23H,21H2,1-20H3.
What are the key properties of 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one?
2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one has a molecular weight of 633.18 g/mol, XLogP of 9.58, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2H-furan-5-one is sourced from PubChem (CID 554022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).