2,2-diethoxy-8-methyl-1,8,2-oxazasilecane

C12H27NO3Si — CID 140723416

IUPAC2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
SMILESCCO[Si]1(OCC)CCCCCN(C)CCO1
InChIInChI=1S/C12H27NO3Si/c1-4-14-17(15-5-2)12-8-6-7-9-13(3)10-11-16-17/h4-12H2,1-3H3
InChIKeyDXOOHLSGURCQPI-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.13
Rot. Bonds4

About 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane

2,2-diethoxy-8-methyl-1,8,2-oxazasilecane (PubChem CID 140723416) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane.

Molecular Properties

Compound Name2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
PubChem CID140723416
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
SMILESCCO[Si]1(OCC)CCCCCN(C)CCO1
InChIInChI=1S/C12H27NO3Si/c1-4-14-17(15-5-2)12-8-6-7-9-13(3)10-11-16-17/h4-12H2,1-3H3
InChIKeyDXOOHLSGURCQPI-UHFFFAOYSA-N
XLogP2.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
CID 140723407
2-ethoxy-2,7-dimethyl-1,7,2-oxazasilonane
CID 140723491
2,2-diethoxy-9-phenyl-1-oxa-9-aza-2-silacycloundecane
CID 154406169
methoxyethane;1-methylpyrrolidine;hydrofluoride;hydroiodide
CID 170772117
methoxymethane;1-methylpiperidine;propane
CID 143876527
methoxyethane;1-methylpyrrolidine
CID 90838943
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
2,2-diethoxyoxasilirane
CID 140622651
butane;1-methylpyrrolidine
CID 143371006
CID 68772535
CID 68772535
methane;tris(1-methylpiperidine)
CID 162076357

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane?
The IUPAC name of 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane (CID 140723416) is 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane.
What is the SMILES notation for 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane?
The canonical SMILES for 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane is CCO[Si]1(OCC)CCCCCN(C)CCO1.
What is the InChIKey of 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane?
The InChIKey is DXOOHLSGURCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-4-14-17(15-5-2)12-8-6-7-9-13(3)10-11-16-17/h4-12H2,1-3H3.
What are the key properties of 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane?
2,2-diethoxy-8-methyl-1,8,2-oxazasilecane has a molecular weight of 261.44 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-8-methyl-1,8,2-oxazasilecane is sourced from PubChem (CID 140723416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).