2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane

C14H30O4Si — CID 174287972

IUPAC2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane
SMILESCC1CO1.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C3H6O/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-2-4-3/h5-10H2,1-4H3;3H,2H2,1H3
InChIKeyJVNGAGOBFBFKNR-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.03
Rot. Bonds5

About 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane

2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane (PubChem CID 174287972) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane
PubChem CID174287972
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane
SMILESCC1CO1.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C3H6O/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-2-4-3/h5-10H2,1-4H3;3H,2H2,1H3
InChIKeyJVNGAGOBFBFKNR-UHFFFAOYSA-N
XLogP3.03
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane (CID 174287972) is 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane is CC1CO1.CCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is JVNGAGOBFBFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si.C3H6O/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-2-4-3/h5-10H2,1-4H3;3H,2H2,1H3.
What are the key properties of 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane?
2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 290.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxirane;1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 174287972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).