ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane

C14H30O3Si — CID 139808227

IUPACethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane
SMILESCC[Si](CCCCC1CO1)(OC(C)C)OC(C)C
InChIInChI=1S/C14H30O3Si/c1-6-18(16-12(2)3,17-13(4)5)10-8-7-9-14-11-15-14/h12-14H,6-11H2,1-5H3
InChIKeyURMIIQKTYSDFMC-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.87
Rot. Bonds10

About ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane

ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane (PubChem CID 139808227) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane.

Molecular Properties

Compound Nameethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane
PubChem CID139808227
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Nameethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane
SMILESCC[Si](CCCCC1CO1)(OC(C)C)OC(C)C
InChIInChI=1S/C14H30O3Si/c1-6-18(16-12(2)3,17-13(4)5)10-8-7-9-14-11-15-14/h12-14H,6-11H2,1-5H3
InChIKeyURMIIQKTYSDFMC-UHFFFAOYSA-N
XLogP3.87
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

decyl-ethyl-di(propan-2-yloxy)silane
CID 158736144
tris(1-methoxyethoxy)-[4-(oxiran-2-yl)butyl]silane
CID 18508396
trimethoxy-[8-[(2R)-oxiran-2-yl]octyl]silane
CID 99865005
dimethoxy-methyl-[8-(oxiran-2-yl)octyl]silane
CID 18458414
trimethyl-[methyl-[4-(oxiran-2-yl)butyl]-trimethylsilyloxysilyl]oxysilane
CID 134968743
(2R)-2-pentyloxirane
CID 11147691
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-tetradecyloxirane
CID 23741
(2R)-2-octadecyloxirane
CID 98043533
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane?
The IUPAC name of ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane (CID 139808227) is ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane.
What is the SMILES notation for ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane?
The canonical SMILES for ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane is CC[Si](CCCCC1CO1)(OC(C)C)OC(C)C.
What is the InChIKey of ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane?
The InChIKey is URMIIQKTYSDFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-6-18(16-12(2)3,17-13(4)5)10-8-7-9-14-11-15-14/h12-14H,6-11H2,1-5H3.
What are the key properties of ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane?
ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane has a molecular weight of 274.48 g/mol, XLogP of 3.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-(oxiran-2-yl)butyl]-di(propan-2-yloxy)silane is sourced from PubChem (CID 139808227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).