1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone

C14H28O3Si — CID 11471281

IUPAC1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
SMILESC[Si](C)(C)CCOCOCC(=O)C1CCCCC1
InChIInChI=1S/C14H28O3Si/c1-18(2,3)10-9-16-12-17-11-14(15)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyBKXJVLPNSLRDQT-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.46
Rot. Bonds8

About 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone

1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone (PubChem CID 11471281) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
PubChem CID11471281
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
SMILESC[Si](C)(C)CCOCOCC(=O)C1CCCCC1
InChIInChI=1S/C14H28O3Si/c1-18(2,3)10-9-16-12-17-11-14(15)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3
InChIKeyBKXJVLPNSLRDQT-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxy-1-cyclohexylethanone
CID 11357321
1-Cyclohexyl-2,2-diethoxyethanone
CID 10488828
1-Cyclohexyl-2,2-dimethoxyethanone
CID 12567624
3-Ethyl-1-(methoxymethoxy)nonan-2-one
CID 118198292
1-Cyclohexyl-2,2,2-triethoxyethanone
CID 140551502
1-Cyclohexyl-2,2-diethoxybutan-1-one
CID 140551504
(2-Cyclohexyl-2-oxoethyl) propyl carbonate
CID 141034667
1-Cyclohexyl-2-(methoxymethoxy)ethanone
CID 10012662
1-[(2R,3S,6R)-3-methyl-6-[(2S)-1-(2-trimethylsilylethoxymethoxy)propan-2-yl]oxan-2-yl]propan-1-one
CID 10315510
1-Cyclohexyl-1-(methoxymethoxy)butan-2-one
CID 11053024
1-Cyclohexyl-2-triethylsilyloxyethanone
CID 11076081

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone?
The IUPAC name of 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone (CID 11471281) is 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone is C[Si](C)(C)CCOCOCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone?
The InChIKey is BKXJVLPNSLRDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-18(2,3)10-9-16-12-17-11-14(15)13-7-5-4-6-8-13/h13H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone?
1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone has a molecular weight of 272.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone is sourced from PubChem (CID 11471281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).