(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one

C17H34O3Si2 — CID 10947880

IUPAC(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)21(7,8)19-14-12-11-13(18)15(14)20-22(9,10)17(4,5)6/h11-12,14-15H,1-10H3/t14-,15-/m0/s1
InChIKeyLONYWOBFJFCEGF-GJZGRUSLSA-N
MW342.63 g/mol
LogP4.91
Rot. Bonds4

About (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one

(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one (PubChem CID 10947880) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
PubChem CID10947880
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Name(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-16(2,3)21(7,8)19-14-12-11-13(18)15(14)20-22(9,10)17(4,5)6/h11-12,14-15H,1-10H3/t14-,15-/m0/s1
InChIKeyLONYWOBFJFCEGF-GJZGRUSLSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclopent-2-en-1-one
CID 10977248
(4R,5S,6R)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11576727
2-Cyclopenten-1-one, 4-[[tris(1-methylethyl)silyl]oxy]-, (4S)-
CID 11817669
(4R)-4-triethylsilyloxycyclopent-2-en-1-one
CID 134888953
(4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 15364500
(5Z)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 9816792
(5E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(2-methylpropylidene)cyclopent-2-en-1-one
CID 11369146
5-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
4-Triethylsilyloxycyclopent-2-en-1-one
CID 21102327

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one (CID 10947880) is (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@H]1C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one?
The InChIKey is LONYWOBFJFCEGF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-16(2,3)21(7,8)19-14-12-11-13(18)15(14)20-22(9,10)17(4,5)6/h11-12,14-15H,1-10H3/t14-,15-/m0/s1.
What are the key properties of (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one?
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one has a molecular weight of 342.63 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one is sourced from PubChem (CID 10947880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).