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

C15H32O4Si — CID 173063926

IUPACdibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane
SMILESCCCCO[SiH](CCC(C)OCC1CO1)OCCCC
InChIInChI=1S/C15H32O4Si/c1-4-6-9-18-20(19-10-7-5-2)11-8-14(3)16-12-15-13-17-15/h14-15,20H,4-13H2,1-3H3
InChIKeyQCQCWOKFRFKCJQ-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.03
Rot. Bonds14

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

dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane (PubChem CID 173063926) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane.

Molecular Properties

Compound Namedibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane
PubChem CID173063926
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Namedibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane
SMILESCCCCO[SiH](CCC(C)OCC1CO1)OCCCC
InChIInChI=1S/C15H32O4Si/c1-4-6-9-18-20(19-10-7-5-2)11-8-14(3)16-12-15-13-17-15/h14-15,20H,4-13H2,1-3H3
InChIKeyQCQCWOKFRFKCJQ-UHFFFAOYSA-N
XLogP3.03
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.03
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutoxy-[3-(oxiran-2-ylmethoxy)butoxy]silane
CID 175173485
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
CID 166063430
CID 166063430
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-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[1-(oxiran-2-ylmethoxy)pentadecoxymethyl]oxirane
CID 176729435
2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
CID 134464354
2-(oxiran-2-ylmethoxy)propyl-tripropoxysilane
CID 22169298
dibutoxy(3-dibutoxysilylpropyl)silane
CID 123992864
2-(pentoxymethyl)oxirane
CID 160890113

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane?
The IUPAC name of dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane (CID 173063926) is dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane.
What is the SMILES notation for dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane?
The canonical SMILES for dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane is CCCCO[SiH](CCC(C)OCC1CO1)OCCCC.
What is the InChIKey of dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane?
The InChIKey is QCQCWOKFRFKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-4-6-9-18-20(19-10-7-5-2)11-8-14(3)16-12-15-13-17-15/h14-15,20H,4-13H2,1-3H3.
What are the key properties of dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane?
dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane has a molecular weight of 304.50 g/mol, XLogP of 3.03, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[3-(oxiran-2-ylmethoxy)butyl]silane is sourced from PubChem (CID 173063926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).