2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane

C12H26O4Si — CID 123713397

IUPAC2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCOC(C[SiH2]CCCOCC1CO1)OCC
InChIInChI=1S/C12H26O4Si/c1-3-14-12(15-4-2)10-17-7-5-6-13-8-11-9-16-11/h11-12H,3-10,17H2,1-2H3
InChIKeyCKLBVRHJOMGMNA-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.20
Rot. Bonds12

About 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane

2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 123713397) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Name2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID123713397
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCOC(C[SiH2]CCCOCC1CO1)OCC
InChIInChI=1S/C12H26O4Si/c1-3-14-12(15-4-2)10-17-7-5-6-13-8-11-9-16-11/h11-12H,3-10,17H2,1-2H3
InChIKeyCKLBVRHJOMGMNA-UHFFFAOYSA-N
XLogP1.20
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.20
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
CID 150898745
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
3-[3-(oxiran-2-ylmethoxy)propylsilyl]propan-1-amine
CID 175540007
3-(oxiran-2-ylmethoxy)propyl-propoxysilane
CID 173042510
diethoxymethyl-methyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 154354243
CID 166063430
CID 166063430
2-(pentoxymethyl)oxirane
CID 160890113
3-(oxiran-2-ylmethoxy)propyl-pentan-2-yloxysilane
CID 175155019
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxymethyl]oxirane
CID 130476685
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
methoxy-[3-[2-(oxiran-2-ylmethoxy)ethoxy]propyl]silane
CID 151041352

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 123713397) is 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is CCOC(C[SiH2]CCCOCC1CO1)OCC.
What is the InChIKey of 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is CKLBVRHJOMGMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-3-14-12(15-4-2)10-17-7-5-6-13-8-11-9-16-11/h11-12H,3-10,17H2,1-2H3.
What are the key properties of 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?
2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 262.42 g/mol, XLogP of 1.20, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 123713397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).