2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one

C19H40O3Si2 — CID 164600195

IUPAC2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C19H40O3Si2/c1-17(2,3)23(7,8)21-14-19(13-11-12-16(19)20)15-22-24(9,10)18(4,5)6/h11-15H2,1-10H3
InChIKeyJDLLQIIZJPWZNL-UHFFFAOYSA-N
MW372.70 g/mol
LogP5.77
Rot. Bonds6

About 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one

2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one (PubChem CID 164600195) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
PubChem CID164600195
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C19H40O3Si2/c1-17(2,3)23(7,8)21-14-19(13-11-12-16(19)20)15-22-24(9,10)18(4,5)6/h11-15H2,1-10H3
InChIKeyJDLLQIIZJPWZNL-UHFFFAOYSA-N
XLogP5.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.77
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

(5S)-5,7-Bis-{[tert-butyldimethylsilyl)oxy]}-4,4-dimethylheptan-3-one
CID 9909110
2-(((tert-Butyldimethylsilyl)oxy)methyl)cyclopentanone
CID 10922280
cis-(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-one
CID 156903644
2-[Tri(propan-2-yl)silyloxymethyl]cyclopentan-1-one
CID 13398604
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylcyclopentan-1-one
CID 71516996
cis-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 138963618
(-)-(S)-5,7-Bis[(tert-butyldimethylsilyl)oxy]-4,4-dimethylheptan-3-one
CID 3662638
(4S)-4,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-3,3-dimethyl-2-hexanone
CID 5085123
(4S)-4,6-Bis-{[tert-butyldimethylsilyl)oxy]}-3,3-dimethylhexan-2-one
CID 11257750
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
CID 70365573
(6S)-6,8-bis[[ethyl(dimethyl)silyl]oxy]-5,5-dimethyloctan-4-one
CID 140460888
(5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4-dimethylheptan-3-one;methane
CID 161731128

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The IUPAC name of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one (CID 164600195) is 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one.
What is the SMILES notation for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The canonical SMILES for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CCCC1=O.
What is the InChIKey of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The InChIKey is JDLLQIIZJPWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-17(2,3)23(7,8)21-14-19(13-11-12-16(19)20)15-22-24(9,10)18(4,5)6/h11-15H2,1-10H3.
What are the key properties of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one has a molecular weight of 372.70 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one is sourced from PubChem (CID 164600195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).