(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one

C14H26O3Si — CID 11000137

IUPAC(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-11-9-12(15)10-13(17-11)7-8-16-18(5,6)14(2,3)4/h9,13H,7-8,10H2,1-6H3/t13-/m1/s1
InChIKeyLRTHSZMRSLWWQQ-CYBMUJFWSA-N
MW270.44 g/mol
LogP3.66
Rot. Bonds4

About (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one

(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one (PubChem CID 11000137) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one
PubChem CID11000137
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H26O3Si/c1-11-9-12(15)10-13(17-11)7-8-16-18(5,6)14(2,3)4/h9,13H,7-8,10H2,1-6H3/t13-/m1/s1
InChIKeyLRTHSZMRSLWWQQ-CYBMUJFWSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6E)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
CID 5384242
3-(5-Trimethylsilylpenta-3,4-dienoxy)cyclohex-2-en-1-one
CID 15363406
(5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 10516230
5-[Tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)cyclohex-2-en-1-one
CID 139655667
5-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclohex-2-en-1-one
CID 141511849
3-Ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
CID 330038
(6Z)-3-ethoxy-6-(trimethylsilyloxymethylidene)cyclohex-2-en-1-one
CID 5955170
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 10754546
(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dihydropyran-4-one
CID 11777196
2-(1-Ethoxypropan-2-yl)-6-methyl-2,3-dihydropyran-4-one
CID 21718582
2-(1-Methoxypropan-2-yl)-6-methyl-2,3-dihydropyran-4-one
CID 21720790
3-(3-Trimethylsilylprop-2-ynoxy)cyclohex-2-en-1-one
CID 21859289

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one (CID 11000137) is (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one is CC1=CC(=O)C[C@@H](CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one?
The InChIKey is LRTHSZMRSLWWQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-11-9-12(15)10-13(17-11)7-8-16-18(5,6)14(2,3)4/h9,13H,7-8,10H2,1-6H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one?
(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one has a molecular weight of 270.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11000137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).