1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one

C14H26O5Si — CID 174793020

IUPAC1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one
SMILESCCCC1(OC)C(CC2CO2)C(=O)CC[Si]1(OC)OC
InChIInChI=1S/C14H26O5Si/c1-5-7-14(16-2)12(9-11-10-19-11)13(15)6-8-20(14,17-3)18-4/h11-12H,5-10H2,1-4H3
InChIKeyCDLVYMYTWULZMX-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.82
Rot. Bonds7

About 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one

1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one (PubChem CID 174793020) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one.

Molecular Properties

Compound Name1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one
PubChem CID174793020
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one
SMILESCCCC1(OC)C(CC2CO2)C(=O)CC[Si]1(OC)OC
InChIInChI=1S/C14H26O5Si/c1-5-7-14(16-2)12(9-11-10-19-11)13(15)6-8-20(14,17-3)18-4/h11-12H,5-10H2,1-4H3
InChIKeyCDLVYMYTWULZMX-UHFFFAOYSA-N
XLogP1.82
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
CID 174604447
2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
CID 174280958
3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
1,1,2-trimethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propylsilinane
CID 174791973
1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole
CID 174594008
3-ethyl-3-[(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxymethoxymethyl]oxetane
CID 174779788
(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate
CID 174267912
1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
CID 174751630
1,1,2-trimethoxy-2-propyl-3-sulfinylsilinane
CID 174559692
2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane
CID 174781449

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one?
The IUPAC name of 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one (CID 174793020) is 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one.
What is the SMILES notation for 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one?
The canonical SMILES for 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one is CCCC1(OC)C(CC2CO2)C(=O)CC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one?
The InChIKey is CDLVYMYTWULZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-5-7-14(16-2)12(9-11-10-19-11)13(15)6-8-20(14,17-3)18-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one?
1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one has a molecular weight of 302.44 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-3-(oxiran-2-ylmethyl)-2-propylsilinan-4-one is sourced from PubChem (CID 174793020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).