butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane

C12H24O2Si — CID 87300821

IUPACbutyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
SMILESCCCC[Si](C)(C)OC1CC[C@H]2O[C@H]2C1
InChIInChI=1S/C12H24O2Si/c1-4-5-8-15(2,3)14-10-6-7-11-12(9-10)13-11/h10-12H,4-9H2,1-3H3/t10?,11-,12+/m1/s1
InChIKeyMYHJDKVOYXNBFK-SAIIYOCFSA-N
MW228.41 g/mol
LogP3.33
Rot. Bonds5

About butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane

butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane (PubChem CID 87300821) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane.

Molecular Properties

Compound Namebutyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
PubChem CID87300821
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Namebutyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane
SMILESCCCC[Si](C)(C)OC1CC[C@H]2O[C@H]2C1
InChIInChI=1S/C12H24O2Si/c1-4-5-8-15(2,3)14-10-6-7-11-12(9-10)13-11/h10-12H,4-9H2,1-3H3/t10?,11-,12+/m1/s1
InChIKeyMYHJDKVOYXNBFK-SAIIYOCFSA-N
XLogP3.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane?
The IUPAC name of butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane (CID 87300821) is butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane.
What is the SMILES notation for butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane?
The canonical SMILES for butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane is CCCC[Si](C)(C)OC1CC[C@H]2O[C@H]2C1.
What is the InChIKey of butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane?
The InChIKey is MYHJDKVOYXNBFK-SAIIYOCFSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-4-5-8-15(2,3)14-10-6-7-11-12(9-10)13-11/h10-12H,4-9H2,1-3H3/t10?,11-,12+/m1/s1.
What are the key properties of butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane?
butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-[[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]silane is sourced from PubChem (CID 87300821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).