2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one

C12H22O3Si — CID 19389481

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC=CC(=O)O1
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)14-9-10-7-6-8-11(13)15-10/h6,8,10H,7,9H2,1-5H3
InChIKeyJSQWZBVWCJWLKC-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.88
Rot. Bonds3

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one (PubChem CID 19389481) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
PubChem CID19389481
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
SMILESCC(C)(C)[Si](C)(C)OCC1CC=CC(=O)O1
InChIInChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)14-9-10-7-6-8-11(13)15-10/h6,8,10H,7,9H2,1-5H3
InChIKeyJSQWZBVWCJWLKC-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.88
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

methyl (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoic acid
CID 12192991
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
Fur020
CID 9992141
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2H-furan-5-one
CID 10538149
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 5468981
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6,6,6-trifluorohex-2-enoate
CID 11681414
ethyl (2E,4S)-4-[(tert-butyldimethylsilyl)oxy]pent-2-enoate
CID 11118755
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one (CID 19389481) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one is CC(C)(C)[Si](C)(C)OCC1CC=CC(=O)O1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
The InChIKey is JSQWZBVWCJWLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-12(2,3)16(4,5)14-9-10-7-6-8-11(13)15-10/h6,8,10H,7,9H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one has a molecular weight of 242.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 19389481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).