2,3-dichlorooxolane;1-ethoxypropoxysilane

C9H20Cl2O3Si — CID 173419093

IUPAC2,3-dichlorooxolane;1-ethoxypropoxysilane
SMILESCCOC(CC)O[SiH3].ClC1CCOC1Cl
InChIInChI=1S/C5H14O2Si.C4H6Cl2O/c1-3-5(7-8)6-4-2;5-3-1-2-7-4(3)6/h5H,3-4H2,1-2,8H3;3-4H,1-2H2
InChIKeyRUZORQQWOBBFOE-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.63
Rot. Bonds4

About 2,3-dichlorooxolane;1-ethoxypropoxysilane

2,3-dichlorooxolane;1-ethoxypropoxysilane (PubChem CID 173419093) has the molecular formula C9H20Cl2O3Si and a molecular weight of 275.25 g/mol. Its IUPAC name is 2,3-dichlorooxolane;1-ethoxypropoxysilane.

Molecular Properties

Compound Name2,3-dichlorooxolane;1-ethoxypropoxysilane
PubChem CID173419093
Molecular FormulaC9H20Cl2O3Si
Molecular Weight275.25 g/mol
Exact Mass274.06
IUPAC Name2,3-dichlorooxolane;1-ethoxypropoxysilane
SMILESCCOC(CC)O[SiH3].ClC1CCOC1Cl
InChIInChI=1S/C5H14O2Si.C4H6Cl2O/c1-3-5(7-8)6-4-2;5-3-1-2-7-4(3)6/h5H,3-4H2,1-2,8H3;3-4H,1-2H2
InChIKeyRUZORQQWOBBFOE-UHFFFAOYSA-N
XLogP1.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichlorooxolane
CID 19025
3-chloro-2-ethoxyoxane
CID 524402
4-(2,2-diethoxyethoxy)oxane
CID 63627894
3-chloro-2-prop-2-enoxyoxolane
CID 524380
3-(diethoxymethyl)-2-ethoxyoxolane
CID 11579424
3-chloro-2-propyloxolane
CID 13494559
3-chloro-2-prop-2-ynoxyoxolane
CID 4110216
[chloro(ethoxy)methoxy]silane
CID 173355194
3-deuterio-1,1-diethoxypropane
CID 15618247
1-ethoxypropyl hypoiodite
CID 88918187
2-ethoxy-3-(1-ethoxyethyl)oxolane
CID 11769288
3-(3,3-diethoxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 66391359

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorooxolane;1-ethoxypropoxysilane?
The IUPAC name of 2,3-dichlorooxolane;1-ethoxypropoxysilane (CID 173419093) is 2,3-dichlorooxolane;1-ethoxypropoxysilane.
What is the SMILES notation for 2,3-dichlorooxolane;1-ethoxypropoxysilane?
The canonical SMILES for 2,3-dichlorooxolane;1-ethoxypropoxysilane is CCOC(CC)O[SiH3].ClC1CCOC1Cl.
What is the InChIKey of 2,3-dichlorooxolane;1-ethoxypropoxysilane?
The InChIKey is RUZORQQWOBBFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2Si.C4H6Cl2O/c1-3-5(7-8)6-4-2;5-3-1-2-7-4(3)6/h5H,3-4H2,1-2,8H3;3-4H,1-2H2.
What are the key properties of 2,3-dichlorooxolane;1-ethoxypropoxysilane?
2,3-dichlorooxolane;1-ethoxypropoxysilane has a molecular weight of 275.25 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorooxolane;1-ethoxypropoxysilane is sourced from PubChem (CID 173419093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).