[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'}

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Related Compounds

trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
CID 141284988
3-(3,3,3-trimethoxypropyl)-7-oxabicyclo[4.1.0]heptane
CID 146705904
3-[19-(7-oxabicyclo[4.1.0]heptan-3-yl)-10,10-bis[9-(7-oxabicyclo[4.1.0]heptan-3-yl)nonyl]nonadecyl]cyclohexan-1-ol
CID 89356895
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tripropoxysilane
CID 21267597
3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl-tri(propan-2-yloxy)silane
CID 89156746
ethyl dimethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propyl silicate
CID 87895424
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774414
[dimethyl-[2-[(1R,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silyl]oxy-dimethyl-[2-[(1R,3S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99774411
bis[[[dimethyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silyl]oxy-dimethylsilyl]oxy]-dimethylsilane
CID 102070616
tributyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 156717714
dimethoxy-[5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentan-2-yl]silane
CID 173466306
hydroxy-tris[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane
CID 140784911

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).