1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane

C15H32O7SSi — CID 66920159

IUPAC1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C)COC(C)OC1CCCS1(=O)=O
InChIInChI=1S/C15H32O7SSi/c1-6-19-24(20-7-2,21-8-3)13(4)12-18-14(5)22-15-10-9-11-23(15,16)17/h13-15H,6-12H2,1-5H3
InChIKeyIHDMEOWWCVMMKF-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.34
Rot. Bonds12

About 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane

1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane (PubChem CID 66920159) has the molecular formula C15H32O7SSi and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane.

Molecular Properties

Compound Name1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane
PubChem CID66920159
Molecular FormulaC15H32O7SSi
Molecular Weight384.57 g/mol
Exact Mass384.16
IUPAC Name1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane
SMILESCCO[Si](OCC)(OCC)C(C)COC(C)OC1CCCS1(=O)=O
InChIInChI=1S/C15H32O7SSi/c1-6-19-24(20-7-2,21-8-3)13(4)12-18-14(5)22-15-10-9-11-23(15,16)17/h13-15H,6-12H2,1-5H3
InChIKeyIHDMEOWWCVMMKF-UHFFFAOYSA-N
XLogP2.34
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane?
The IUPAC name of 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane (CID 66920159) is 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane.
What is the SMILES notation for 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane?
The canonical SMILES for 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane is CCO[Si](OCC)(OCC)C(C)COC(C)OC1CCCS1(=O)=O.
What is the InChIKey of 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane?
The InChIKey is IHDMEOWWCVMMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O7SSi/c1-6-19-24(20-7-2,21-8-3)13(4)12-18-14(5)22-15-10-9-11-23(15,16)17/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane?
1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane has a molecular weight of 384.57 g/mol, XLogP of 2.34, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,1-dioxothiolan-2-yl)oxyethoxy]propan-2-yl-triethoxysilane is sourced from PubChem (CID 66920159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).