1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone

C17H34O4Si — CID 10806362

IUPAC1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-15-16(14(7)18)21-17(8,9)20-15/h11-13,15-16H,10H2,1-9H3/t15-,16-/m1/s1
InChIKeyOWGDORFZUAGZJL-HZPDHXFCSA-N
MW330.54 g/mol
LogP4.29
Rot. Bonds7

About 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone

1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone (PubChem CID 10806362) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone
PubChem CID10806362
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone
SMILESCC(=O)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-15-16(14(7)18)21-17(8,9)20-15/h11-13,15-16H,10H2,1-9H3/t15-,16-/m1/s1
InChIKeyOWGDORFZUAGZJL-HZPDHXFCSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.29
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

(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 10401143
(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11778119
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11033068
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
(6aR,8S,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 15451469
propan-2-yl (2S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-tri(propan-2-yl)silyloxyacetate
CID 140314697
(6aR,8R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 141664513
(6aR,8R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 153493511
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-iodoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 157261517
(6aR,8R)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-one
CID 173803902
Propan-2-yl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-tri(propan-2-yl)silyloxyacetate
CID 175607366

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone (CID 10806362) is 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone is CC(=O)[C@H]1OC(C)(C)O[C@@H]1CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone?
The InChIKey is OWGDORFZUAGZJL-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-11(2)22(12(3)4,13(5)6)19-10-15-16(14(7)18)21-17(8,9)20-15/h11-13,15-16H,10H2,1-9H3/t15-,16-/m1/s1.
What are the key properties of 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone?
1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone has a molecular weight of 330.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 10806362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).