[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane

C13H26O2Si — CID 173466299

IUPAC[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane
SMILESCC(C)(CCCCC1CCC2OC2C1)O[SiH3]
InChIInChI=1S/C13H26O2Si/c1-13(2,15-16)8-4-3-5-10-6-7-11-12(9-10)14-11/h10-12H,3-9H2,1-2,16H3
InChIKeyCEPSHJYAFUEJCG-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.19
Rot. Bonds6

About [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane

[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane (PubChem CID 173466299) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane.

Molecular Properties

Compound Name[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane
PubChem CID173466299
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane
SMILESCC(C)(CCCCC1CCC2OC2C1)O[SiH3]
InChIInChI=1S/C13H26O2Si/c1-13(2,15-16)8-4-3-5-10-6-7-11-12(9-10)14-11/h10-12H,3-9H2,1-2,16H3
InChIKeyCEPSHJYAFUEJCG-UHFFFAOYSA-N
XLogP2.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane?
The IUPAC name of [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane (CID 173466299) is [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane.
What is the SMILES notation for [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane?
The canonical SMILES for [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane is CC(C)(CCCCC1CCC2OC2C1)O[SiH3].
What is the InChIKey of [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane?
The InChIKey is CEPSHJYAFUEJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-13(2,15-16)8-4-3-5-10-6-7-11-12(9-10)14-11/h10-12H,3-9H2,1-2,16H3.
What are the key properties of [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane?
[2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane has a molecular weight of 242.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexan-2-yl]oxysilane is sourced from PubChem (CID 173466299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).