4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one

C14H26O2Si2 — CID 138982717

IUPAC4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one
SMILESC[Si](C)(C)C#CC1(O[Si](C)(C)C)CCC(=O)CC1
InChIInChI=1S/C14H26O2Si2/c1-17(2,3)12-11-14(16-18(4,5)6)9-7-13(15)8-10-14/h7-10H2,1-6H3
InChIKeyIKIAGPLADQQCIQ-UHFFFAOYSA-N
MW282.53 g/mol
LogP3.60
Rot. Bonds2

About 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one

4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one (PubChem CID 138982717) has the molecular formula C14H26O2Si2 and a molecular weight of 282.53 g/mol. Its IUPAC name is 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one.

Molecular Properties

Compound Name4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one
PubChem CID138982717
Molecular FormulaC14H26O2Si2
Molecular Weight282.53 g/mol
Exact Mass282.15
IUPAC Name4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one
SMILESC[Si](C)(C)C#CC1(O[Si](C)(C)C)CCC(=O)CC1
InChIInChI=1S/C14H26O2Si2/c1-17(2,3)12-11-14(16-18(4,5)6)9-7-13(15)8-10-14/h7-10H2,1-6H3
InChIKeyIKIAGPLADQQCIQ-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one?
The IUPAC name of 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one (CID 138982717) is 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one.
What is the SMILES notation for 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one?
The canonical SMILES for 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one is C[Si](C)(C)C#CC1(O[Si](C)(C)C)CCC(=O)CC1.
What is the InChIKey of 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one?
The InChIKey is IKIAGPLADQQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si2/c1-17(2,3)12-11-14(16-18(4,5)6)9-7-13(15)8-10-14/h7-10H2,1-6H3.
What are the key properties of 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one?
4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one has a molecular weight of 282.53 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-trimethylsilylethynyl)-4-trimethylsilyloxycyclohexan-1-one is sourced from PubChem (CID 138982717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).