4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one

C13H26O4Si — CID 58831266

IUPAC4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one
SMILESCC[Si](CC)(CC)CCCOCC1COC(=O)O1
InChIInChI=1S/C13H26O4Si/c1-4-18(5-2,6-3)9-7-8-15-10-12-11-16-13(14)17-12/h12H,4-11H2,1-3H3
InChIKeyQRWDDJUGLHEXPN-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.44
Rot. Bonds9

About 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one

4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one (PubChem CID 58831266) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one
PubChem CID58831266
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one
SMILESCC[Si](CC)(CC)CCCOCC1COC(=O)O1
InChIInChI=1S/C13H26O4Si/c1-4-18(5-2,6-3)9-7-8-15-10-12-11-16-13(14)17-12/h12H,4-11H2,1-3H3
InChIKeyQRWDDJUGLHEXPN-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one (CID 58831266) is 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one is CC[Si](CC)(CC)CCCOCC1COC(=O)O1.
What is the InChIKey of 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is QRWDDJUGLHEXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-4-18(5-2,6-3)9-7-8-15-10-12-11-16-13(14)17-12/h12H,4-11H2,1-3H3.
What are the key properties of 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one?
4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 274.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-triethylsilylpropoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 58831266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).