1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one

C14H28O4Si — CID 134856017

IUPAC1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
SMILESCC(=O)CC1(CCO[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C14H28O4Si/c1-12(15)11-14(16-9-10-17-14)7-8-18-19(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyAEQLYKPRSLFKFP-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds6

About 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one

1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one (PubChem CID 134856017) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
PubChem CID134856017
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
SMILESCC(=O)CC1(CCO[Si](C)(C)C(C)(C)C)OCCO1
InChIInChI=1S/C14H28O4Si/c1-12(15)11-14(16-9-10-17-14)7-8-18-19(5,6)13(2,3)4/h7-11H2,1-6H3
InChIKeyAEQLYKPRSLFKFP-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11162038
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
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
5-(2-Trimethylsilyl-1,3-dioxolan-2-yl)pentan-2-one
CID 10704653
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 102147340
2-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10902736
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione
CID 10990729
1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one
CID 11514980
1-[(4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 16756248
2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 70675864
1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-2-one
CID 102368445
1-[(4R,5R)-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]propan-2-one
CID 122215858

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one?
The IUPAC name of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one (CID 134856017) is 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one.
What is the SMILES notation for 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one?
The canonical SMILES for 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one is CC(=O)CC1(CCO[Si](C)(C)C(C)(C)C)OCCO1.
What is the InChIKey of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one?
The InChIKey is AEQLYKPRSLFKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-12(15)11-14(16-9-10-17-14)7-8-18-19(5,6)13(2,3)4/h7-11H2,1-6H3.
What are the key properties of 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one?
1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one has a molecular weight of 288.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one is sourced from PubChem (CID 134856017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).