5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one

C14H26O4Si — CID 139655667

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one
SMILESCOCOC1=CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-13-8-11(15)7-12(9-13)17-10-16-4/h7,13H,8-10H2,1-6H3
InChIKeyTWYMBORYRJUGIL-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.24
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one

5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one (PubChem CID 139655667) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one
PubChem CID139655667
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one
SMILESCOCOC1=CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-13-8-11(15)7-12(9-13)17-10-16-4/h7,13H,8-10H2,1-6H3
InChIKeyTWYMBORYRJUGIL-UHFFFAOYSA-N
XLogP3.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-(1,3-dioxolan-2-ylmethyl)-2-[2-tri(propan-2-yl)silyloxyethyl]-2,3-dihydropyran-4-one
CID 11372550
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one
CID 11000137

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one (CID 139655667) is 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one is COCOC1=CC(=O)CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one?
The InChIKey is TWYMBORYRJUGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(5,6)18-13-8-11(15)7-12(9-13)17-10-16-4/h7,13H,8-10H2,1-6H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one?
5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one has a molecular weight of 286.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 139655667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).