2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane

C14H28O4Si — CID 174781449

IUPAC2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane
SMILESCCC(CC1CO1)C1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C14H28O4Si/c1-5-12(10-13-11-18-13)14(15-2)8-6-7-9-19(14,16-3)17-4/h12-13H,5-11H2,1-4H3
InChIKeyACQRIKOGOGQKGF-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.64
Rot. Bonds7

About 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane

2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane (PubChem CID 174781449) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane.

Molecular Properties

Compound Name2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane
PubChem CID174781449
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane
SMILESCCC(CC1CO1)C1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C14H28O4Si/c1-5-12(10-13-11-18-13)14(15-2)8-6-7-9-19(14,16-3)17-4/h12-13H,5-11H2,1-4H3
InChIKeyACQRIKOGOGQKGF-UHFFFAOYSA-N
XLogP2.64
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.64
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-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane?
The IUPAC name of 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane (CID 174781449) is 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane.
What is the SMILES notation for 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane?
The canonical SMILES for 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane is CCC(CC1CO1)C1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane?
The InChIKey is ACQRIKOGOGQKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-5-12(10-13-11-18-13)14(15-2)8-6-7-9-19(14,16-3)17-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane?
2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane has a molecular weight of 288.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,2-trimethoxysilinan-2-yl)butyl]oxirane is sourced from PubChem (CID 174781449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).