cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one

C18H37FO3Si2 — CID 156903644

IUPACcis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(F)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37FO3Si2/c1-16(2,3)23(7,8)21-13-18(19)14(20)11-12-15(18)22-24(9,10)17(4,5)6/h15H,11-13H2,1-10H3/t15-,18+/m0/s1
InChIKeyGTANHQWNLUJXAA-MAUKXSAKSA-N
MW376.66 g/mol
LogP5.47
Rot. Bonds5

About cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one

cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one (PubChem CID 156903644) has the molecular formula C18H37FO3Si2 and a molecular weight of 376.66 g/mol. Its IUPAC name is cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one
PubChem CID156903644
Molecular FormulaC18H37FO3Si2
Molecular Weight376.66 g/mol
Exact Mass376.23
IUPAC Namecis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@]1(F)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H37FO3Si2/c1-16(2,3)23(7,8)21-13-18(19)14(20)11-12-15(18)22-24(9,10)17(4,5)6/h15H,11-13H2,1-10H3/t15-,18+/m0/s1
InChIKeyGTANHQWNLUJXAA-MAUKXSAKSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 55.47
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

cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
[Tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 14711753
cis-[tert-butyl(dimethyl)silyl] (1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 69218410
2,2-Bis(((tert-butyldimethylsilyl)oxy)methyl)cyclopentan-1-one
CID 164600195
cis-(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one
CID 15272465
trans-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylcyclopentan-1-one
CID 15272466
3-[Tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 101863330
trans-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
CID 102406520

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one (CID 156903644) is cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one is CC(C)(C)[Si](C)(C)OC[C@@]1(F)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one?
The InChIKey is GTANHQWNLUJXAA-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H37FO3Si2/c1-16(2,3)23(7,8)21-13-18(19)14(20)11-12-15(18)22-24(9,10)17(4,5)6/h15H,11-13H2,1-10H3/t15-,18+/m0/s1.
What are the key properties of cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one?
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one has a molecular weight of 376.66 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one is sourced from PubChem (CID 156903644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).