(2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one

C10H18O2Si — CID 3003930

IUPAC(2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one
SMILESC[Si](C)(C)O/C=C1/CCCCC1=O
InChIInChI=1S/C10H18O2Si/c1-13(2,3)12-8-9-6-4-5-7-10(9)11/h8H,4-7H2,1-3H3/b9-8-
InChIKeyKUWISAFKUKBJFU-HJWRWDBZSA-N
MW198.34 g/mol
LogP2.86
Rot. Bonds2

About (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one

(2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one (PubChem CID 3003930) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one
PubChem CID3003930
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one
SMILESC[Si](C)(C)O/C=C1/CCCCC1=O
InChIInChI=1S/C10H18O2Si/c1-13(2,3)12-8-9-6-4-5-7-10(9)11/h8H,4-7H2,1-3H3/b9-8-
InChIKeyKUWISAFKUKBJFU-HJWRWDBZSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one?
The IUPAC name of (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one (CID 3003930) is (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one.
What is the SMILES notation for (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one?
The canonical SMILES for (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one is C[Si](C)(C)O/C=C1/CCCCC1=O.
What is the InChIKey of (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one?
The InChIKey is KUWISAFKUKBJFU-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-13(2,3)12-8-9-6-4-5-7-10(9)11/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one?
(2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one has a molecular weight of 198.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(trimethylsilyloxymethylidene)cyclohexan-1-one is sourced from PubChem (CID 3003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).