1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one

C14H26O2Si — CID 155943551

IUPAC1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC12CC1CCCC2=O
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-10-14-9-11(14)7-6-8-12(14)15/h11H,6-10H2,1-5H3
InChIKeyZGSNAJRXNCIAFO-UHFFFAOYSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds3

About 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one

1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one (PubChem CID 155943551) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one
PubChem CID155943551
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC12CC1CCCC2=O
InChIInChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-10-14-9-11(14)7-6-8-12(14)15/h11H,6-10H2,1-5H3
InChIKeyZGSNAJRXNCIAFO-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one?
The IUPAC name of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one (CID 155943551) is 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one?
The canonical SMILES for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one is CC(C)(C)[Si](C)(C)OCC12CC1CCCC2=O.
What is the InChIKey of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one?
The InChIKey is ZGSNAJRXNCIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-13(2,3)17(4,5)16-10-14-9-11(14)7-6-8-12(14)15/h11H,6-10H2,1-5H3.
What are the key properties of 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one?
1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one has a molecular weight of 254.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 155943551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).