2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane

C14H30O4Si — CID 150898745

IUPAC2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
SMILESCCOC(C[SiH2]CCCCCOCC1CO1)OCC
InChIInChI=1S/C14H30O4Si/c1-3-16-14(17-4-2)12-19-9-7-5-6-8-15-10-13-11-18-13/h13-14H,3-12,19H2,1-2H3
InChIKeyKZOHVQVVYSFKJT-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.98
Rot. Bonds14

About 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane

2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane (PubChem CID 150898745) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane.

Molecular Properties

Compound Name2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
PubChem CID150898745
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane
SMILESCCOC(C[SiH2]CCCCCOCC1CO1)OCC
InChIInChI=1S/C14H30O4Si/c1-3-16-14(17-4-2)12-19-9-7-5-6-8-15-10-13-11-18-13/h13-14H,3-12,19H2,1-2H3
InChIKeyKZOHVQVVYSFKJT-UHFFFAOYSA-N
XLogP1.98
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.98
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-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 123713397
2-(4,4-diethoxybutoxymethyl)oxirane
CID 87292849
2-[18-(oxiran-2-ylmethoxy)octadecoxymethyl]oxirane
CID 172718038
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
(2S)-2-(octoxymethyl)oxirane
CID 87274801
2-(pentoxymethyl)oxirane
CID 160890113
methoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
CID 173377892
2-[4-[4-[4-(oxiran-2-ylmethoxy)butoxy]butoxy]butoxymethyl]oxirane
CID 130476668
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

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane?
The IUPAC name of 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane (CID 150898745) is 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane.
What is the SMILES notation for 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane?
The canonical SMILES for 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane is CCOC(C[SiH2]CCCCCOCC1CO1)OCC.
What is the InChIKey of 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane?
The InChIKey is KZOHVQVVYSFKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-3-16-14(17-4-2)12-19-9-7-5-6-8-15-10-13-11-18-13/h13-14H,3-12,19H2,1-2H3.
What are the key properties of 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane?
2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane has a molecular weight of 290.48 g/mol, XLogP of 1.98, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyl-[5-(oxiran-2-ylmethoxy)pentyl]silane is sourced from PubChem (CID 150898745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).