[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate

C13H26O4Si — CID 23562381

IUPAC[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate
SMILESCC(=O)OC1COC(CO[Si](C)(C)C(C)C)C1C
InChIInChI=1S/C13H26O4Si/c1-9(2)18(5,6)16-8-12-10(3)13(7-15-12)17-11(4)14/h9-10,12-13H,7-8H2,1-6H3
InChIKeyAJCYPNKGJVGGPS-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.58
Rot. Bonds5

About [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate

[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate (PubChem CID 23562381) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate
PubChem CID23562381
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate
SMILESCC(=O)OC1COC(CO[Si](C)(C)C(C)C)C1C
InChIInChI=1S/C13H26O4Si/c1-9(2)18(5,6)16-8-12-10(3)13(7-15-12)17-11(4)14/h9-10,12-13H,7-8H2,1-6H3
InChIKeyAJCYPNKGJVGGPS-UHFFFAOYSA-N
XLogP2.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.58
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

[5-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562379
[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyl-2,3,4,5-tetrahydrofuran-2-id-3-yl] acetate;uranium
CID 59038906
[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
CID 526631
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 6428058
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[(2R,3R,5S)-3,4-diacetyloxy-5-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 135193868
[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 175284173
[(3R,4R,5R,6S)-4,5-diacetyloxy-6-propyloxan-3-yl] acetate
CID 173417259
[(4S,5R,6S)-4,5-diacetyloxy-6-methyloxan-3-yl] acetate
CID 163908102
(4-acetyloxy-5-ethynyloxolan-3-yl) acetate
CID 153379360

Frequently Asked Questions

What is the IUPAC name of [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate?
The IUPAC name of [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate (CID 23562381) is [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate.
What is the SMILES notation for [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate?
The canonical SMILES for [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate is CC(=O)OC1COC(CO[Si](C)(C)C(C)C)C1C.
What is the InChIKey of [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate?
The InChIKey is AJCYPNKGJVGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-9(2)18(5,6)16-8-12-10(3)13(7-15-12)17-11(4)14/h9-10,12-13H,7-8H2,1-6H3.
What are the key properties of [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate?
[5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate has a molecular weight of 274.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[dimethyl(propan-2-yl)silyl]oxymethyl]-4-methyloxolan-3-yl] acetate is sourced from PubChem (CID 23562381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).