(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one

C14H28O4Si — CID 23253063

IUPAC(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one
SMILESCO[C@H]1C(=O)C[C@@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-10-8-11(15)13(16-5)12(18-10)9-17-19(6,7)14(2,3)4/h10,12-13H,8-9H2,1-7H3/t10-,12-,13+/m1/s1
InChIKeyOFNXJPKVIPPREO-RTXFEEFZSA-N
MW288.46 g/mol
LogP2.77
Rot. Bonds4

About (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one

(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one (PubChem CID 23253063) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one.

Molecular Properties

Compound Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one
PubChem CID23253063
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one
SMILESCO[C@H]1C(=O)C[C@@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O4Si/c1-10-8-11(15)13(16-5)12(18-10)9-17-19(6,7)14(2,3)4/h10,12-13H,8-9H2,1-7H3/t10-,12-,13+/m1/s1
InChIKeyOFNXJPKVIPPREO-RTXFEEFZSA-N
XLogP2.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methyloxan-4-one
CID 10220790
(2r,3r,4s,5s)-2-Acetyl-3-(t-butyldimethylsilyloxy)-4-methoxy-5-methyl-tetrahydropyran
CID 11141191
(4aR,6R,8aR)-2,2-ditert-butyl-6-methyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 46910879
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
CID 134831361
(4aR,6S,8aR)-2-tert-butyl-6-methyl-2-(2-methylpropan-2-yl)-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3,2]dioxasilin-8-one
CID 134857277
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
(1S,4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,7-dioxabicyclo[4.1.0]heptan-5-one
CID 14886220
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-3-one
CID 15836736
3-[Tert-butyl(dimethyl)silyl]oxy-2-methyloxan-4-one
CID 144002567
2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde
CID 11054822
1-[(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxan-2-yl]ethanone
CID 11111837

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one?
The IUPAC name of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one (CID 23253063) is (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one.
What is the SMILES notation for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one?
The canonical SMILES for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one is CO[C@H]1C(=O)C[C@@H](C)O[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one?
The InChIKey is OFNXJPKVIPPREO-RTXFEEFZSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10-8-11(15)13(16-5)12(18-10)9-17-19(6,7)14(2,3)4/h10,12-13H,8-9H2,1-7H3/t10-,12-,13+/m1/s1.
What are the key properties of (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one?
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one has a molecular weight of 288.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one is sourced from PubChem (CID 23253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).