triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane

C15H32O5Si — CID 146004986

IUPACtriethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane
SMILESCCO[Si](CCC1(C)OCC(C)(C)CO1)(OCC)OCC
InChIInChI=1S/C15H32O5Si/c1-7-18-21(19-8-2,20-9-3)11-10-15(6)16-12-14(4,5)13-17-15/h7-13H2,1-6H3
InChIKeyGNKNAPBDNLBJSV-UHFFFAOYSA-N
MW320.50 g/mol
LogP3.21
Rot. Bonds9

About triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane

triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane (PubChem CID 146004986) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane
PubChem CID146004986
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Nametriethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane
SMILESCCO[Si](CCC1(C)OCC(C)(C)CO1)(OCC)OCC
InChIInChI=1S/C15H32O5Si/c1-7-18-21(19-8-2,20-9-3)11-10-15(6)16-12-14(4,5)13-17-15/h7-13H2,1-6H3
InChIKeyGNKNAPBDNLBJSV-UHFFFAOYSA-N
XLogP3.21
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane?
The IUPAC name of triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane (CID 146004986) is triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane is CCO[Si](CCC1(C)OCC(C)(C)CO1)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane?
The InChIKey is GNKNAPBDNLBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-7-18-21(19-8-2,20-9-3)11-10-15(6)16-12-14(4,5)13-17-15/h7-13H2,1-6H3.
What are the key properties of triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane?
triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane has a molecular weight of 320.50 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]silane is sourced from PubChem (CID 146004986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).