2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one

C16H24O2Si — CID 12602088

IUPAC2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one
SMILESC[Si](C)(C)OC(c1ccccc1)C1CCCCC1=O
InChIInChI=1S/C16H24O2Si/c1-19(2,3)18-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3
InChIKeySAELUKJTROTCFT-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.34
Rot. Bonds4

About 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one

2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one (PubChem CID 12602088) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one
PubChem CID12602088
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Name2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one
SMILESC[Si](C)(C)OC(c1ccccc1)C1CCCCC1=O
InChIInChI=1S/C16H24O2Si/c1-19(2,3)18-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3
InChIKeySAELUKJTROTCFT-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.34
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 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one?
The IUPAC name of 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one (CID 12602088) is 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one is C[Si](C)(C)OC(c1ccccc1)C1CCCCC1=O.
What is the InChIKey of 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one?
The InChIKey is SAELUKJTROTCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-19(2,3)18-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)17/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3.
What are the key properties of 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one?
2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one has a molecular weight of 276.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(trimethylsilyloxy)methyl]cyclohexan-1-one is sourced from PubChem (CID 12602088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).