dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane

C15H32O5Si — CID 175173485

IUPACdibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane
SMILESCCCCO[SiH](OCCCC)OCCC(C)OCC1CO1
InChIInChI=1S/C15H32O5Si/c1-4-6-9-18-21(19-10-7-5-2)20-11-8-14(3)16-12-15-13-17-15/h14-15,21H,4-13H2,1-3H3
InChIKeyVGSOWGJVVCQJOR-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.55
Rot. Bonds15

About dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane

dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane (PubChem CID 175173485) has the molecular formula C15H32O5Si and a molecular weight of 320.50 g/mol. Its IUPAC name is dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane.

Molecular Properties

Compound Namedibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane
PubChem CID175173485
Molecular FormulaC15H32O5Si
Molecular Weight320.50 g/mol
Exact Mass320.20
IUPAC Namedibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane
SMILESCCCCO[SiH](OCCCC)OCCC(C)OCC1CO1
InChIInChI=1S/C15H32O5Si/c1-4-6-9-18-21(19-10-7-5-2)20-11-8-14(3)16-12-15-13-17-15/h14-15,21H,4-13H2,1-3H3
InChIKeyVGSOWGJVVCQJOR-UHFFFAOYSA-N
XLogP2.55
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane
CID 173063926
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
ethyl-[3-(oxiran-2-ylmethoxy)butyl]-dipropoxysilane
CID 152596309
2-[5-(trimethoxymethyl)tridecan-2-yloxymethyl]oxirane
CID 151032004
diethoxy-[1-(oxiran-2-ylmethoxy)pentyl]silane
CID 173177487
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
CID 134464354
2-(oxiran-2-ylmethoxy)propyl-tripropoxysilane
CID 22169298
bis(2-methylpropoxy)-[4-(oxiran-2-ylmethoxy)butoxy]silane
CID 174155856
CID 166063430
CID 166063430
2-(tetradecan-4-yloxymethyl)oxirane
CID 172858851

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane?
The IUPAC name of dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane (CID 175173485) is dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane.
What is the SMILES notation for dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane?
The canonical SMILES for dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane is CCCCO[SiH](OCCCC)OCCC(C)OCC1CO1.
What is the InChIKey of dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane?
The InChIKey is VGSOWGJVVCQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5Si/c1-4-6-9-18-21(19-10-7-5-2)20-11-8-14(3)16-12-15-13-17-15/h14-15,21H,4-13H2,1-3H3.
What are the key properties of dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane?
dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane has a molecular weight of 320.50 g/mol, XLogP of 2.55, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane is sourced from PubChem (CID 175173485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).