dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane

C12H26O5Si — CID 169273482

IUPACdimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCO[Si](CCCOCC1CO1)(OC)OCC(C)C
InChIInChI=1S/C12H26O5Si/c1-11(2)8-17-18(13-3,14-4)7-5-6-15-9-12-10-16-12/h11-12H,5-10H2,1-4H3
InChIKeyAPNIMGFOWWUSJW-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.70
Rot. Bonds11

About dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane

dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 169273482) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namedimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID169273482
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Namedimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCO[Si](CCCOCC1CO1)(OC)OCC(C)C
InChIInChI=1S/C12H26O5Si/c1-11(2)8-17-18(13-3,14-4)7-5-6-15-9-12-10-16-12/h11-12H,5-10H2,1-4H3
InChIKeyAPNIMGFOWWUSJW-UHFFFAOYSA-N
XLogP1.70
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.70
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

oxiran-2-ylmethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 159211950
2-[2-hydroxyethoxy-methoxy-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87722976
ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
trimethoxy-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 10130712
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174775957
1,1-dimethoxyethoxy-methoxy-[4-(oxiran-2-ylmethoxy)butoxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 150839011
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 88618101
hydroxy-(2-methylpropyl)-bis[3-(oxiran-2-ylmethoxy)propyl]silane
CID 142708381
3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 59202490
methyl-[3-[[(2R)-oxiran-2-yl]methoxy]propyl]-di(propan-2-yloxy)silane
CID 150003668
triethoxy(phenyl)silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 87370600

Frequently Asked Questions

What is the IUPAC name of dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 169273482) is dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane is CO[Si](CCCOCC1CO1)(OC)OCC(C)C.
What is the InChIKey of dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is APNIMGFOWWUSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-11(2)8-17-18(13-3,14-4)7-5-6-15-9-12-10-16-12/h11-12H,5-10H2,1-4H3.
What are the key properties of dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane?
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 278.42 g/mol, XLogP of 1.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 169273482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).