butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C13H28O6Si — CID 174775957

IUPACbutan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC(C)=O.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C9H20O5Si.C4H8O/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-3-4(2)5/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyCWMBGMMPABMSTC-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.66
Rot. Bonds10

About butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 174775957) has the molecular formula C13H28O6Si and a molecular weight of 308.45 g/mol. Its IUPAC name is butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

Compound Namebutan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
PubChem CID174775957
Molecular FormulaC13H28O6Si
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Namebutan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCC(C)=O.CO[Si](CCCOCC1CO1)(OC)OC
InChIInChI=1S/C9H20O5Si.C4H8O/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-3-4(2)5/h9H,4-8H2,1-3H3;3H2,1-2H3
InChIKeyCWMBGMMPABMSTC-UHFFFAOYSA-N
XLogP1.66
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

ethoxysilane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 161088311
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
diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 173170061
trimethoxy-[2-(oxiran-2-ylmethoxy)ethyl]silane
CID 10130712
[acetyloxy-methyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] acetate
CID 22292670
3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 88618101
dimethoxy-(2-methylpropoxy)-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 169273482
2-[ethoxy-(2-hydroxyethoxy)-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxyethanol
CID 87723371
propyl 2-methylprop-2-enoate;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174676531
[4-[dimethoxy-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-7-(oxiran-2-ylmethoxy)heptyl] 2-methylprop-2-enoate
CID 175369896
propane-1-thiol;triethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
CID 174889951

Frequently Asked Questions

What is the IUPAC name of butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The IUPAC name of butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 174775957) is butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.
What is the SMILES notation for butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The canonical SMILES for butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is CCC(C)=O.CO[Si](CCCOCC1CO1)(OC)OC.
What is the InChIKey of butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
The InChIKey is CWMBGMMPABMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.C4H8O/c1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9;1-3-4(2)5/h9H,4-8H2,1-3H3;3H2,1-2H3.
What are the key properties of butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?
butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 308.45 g/mol, XLogP of 1.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 174775957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).