1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone

C13H26O4Si — CID 11108564

IUPAC1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone
SMILESCC[Si](CC)(CC)OCC(=O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)16-9-11(14)12-10-15-13(4,5)17-12/h12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyPZZAJNNGEPTUMA-LBPRGKRZSA-N
MW274.43 g/mol
LogP2.73
Rot. Bonds7

About 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone

1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone (PubChem CID 11108564) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone
PubChem CID11108564
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone
SMILESCC[Si](CC)(CC)OCC(=O)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)16-9-11(14)12-10-15-13(4,5)17-12/h12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyPZZAJNNGEPTUMA-LBPRGKRZSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone?
The IUPAC name of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone (CID 11108564) is 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone is CC[Si](CC)(CC)OCC(=O)[C@@H]1COC(C)(C)O1.
What is the InChIKey of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone?
The InChIKey is PZZAJNNGEPTUMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-6-18(7-2,8-3)16-9-11(14)12-10-15-13(4,5)17-12/h12H,6-10H2,1-5H3/t12-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone?
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone has a molecular weight of 274.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-triethylsilyloxyethanone is sourced from PubChem (CID 11108564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).