(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane

C11H24O4Si — CID 141167016

IUPAC(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
SMILESCCC[Si](OC)(OC)C1(CC)OCCCO1
InChIInChI=1S/C11H24O4Si/c1-5-10-16(12-3,13-4)11(6-2)14-8-7-9-15-11/h5-10H2,1-4H3
InChIKeyOKIXIQKBBRXUKA-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.21
Rot. Bonds6

About (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane

(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane (PubChem CID 141167016) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane.

Molecular Properties

Compound Name(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
PubChem CID141167016
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane
SMILESCCC[Si](OC)(OC)C1(CC)OCCCO1
InChIInChI=1S/C11H24O4Si/c1-5-10-16(12-3,13-4)11(6-2)14-8-7-9-15-11/h5-10H2,1-4H3
InChIKeyOKIXIQKBBRXUKA-UHFFFAOYSA-N
XLogP2.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.21
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 (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane?
The IUPAC name of (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane (CID 141167016) is (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane.
What is the SMILES notation for (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane?
The canonical SMILES for (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane is CCC[Si](OC)(OC)C1(CC)OCCCO1.
What is the InChIKey of (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane?
The InChIKey is OKIXIQKBBRXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-5-10-16(12-3,13-4)11(6-2)14-8-7-9-15-11/h5-10H2,1-4H3.
What are the key properties of (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane?
(2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane has a molecular weight of 248.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-dioxan-2-yl)-dimethoxy-propylsilane is sourced from PubChem (CID 141167016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).