1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone

C14H26O2Si — CID 11118629

IUPAC1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C14H26O2Si/c1-11(15)12-8-7-9-13(10-12)16-17(5,6)14(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyRSEJQVDVIQXVQS-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds3

About 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone

1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone (PubChem CID 11118629) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone
PubChem CID11118629
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone
SMILESCC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C14H26O2Si/c1-11(15)12-8-7-9-13(10-12)16-17(5,6)14(2,3)4/h10,13H,7-9H2,1-6H3
InChIKeyRSEJQVDVIQXVQS-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone?
The IUPAC name of 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone (CID 11118629) is 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone.
What is the SMILES notation for 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone?
The canonical SMILES for 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone is CC(=O)C1=CC(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone?
The InChIKey is RSEJQVDVIQXVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-11(15)12-8-7-9-13(10-12)16-17(5,6)14(2,3)4/h10,13H,7-9H2,1-6H3.
What are the key properties of 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone?
1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone has a molecular weight of 254.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]ethanone is sourced from PubChem (CID 11118629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).