1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone

C11H20O2Si — CID 99771232

IUPAC1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1CCC=C(O[Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-9(12)10-6-5-7-11(8-10)13-14(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyZESFOKNRBCCKRM-SNVBAGLBSA-N
MW212.36 g/mol
LogP3.11
Rot. Bonds3

About 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone

1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone (PubChem CID 99771232) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone
PubChem CID99771232
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone
SMILESCC(=O)[C@@H]1CCC=C(O[Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-9(12)10-6-5-7-11(8-10)13-14(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1
InChIKeyZESFOKNRBCCKRM-SNVBAGLBSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.11
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-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone (CID 99771232) is 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone is CC(=O)[C@@H]1CCC=C(O[Si](C)(C)C)C1.
What is the InChIKey of 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone?
The InChIKey is ZESFOKNRBCCKRM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-9(12)10-6-5-7-11(8-10)13-14(2,3)4/h7,10H,5-6,8H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone?
1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone has a molecular weight of 212.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-trimethylsilyloxycyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 99771232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).