trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane

C11H22O4Si — CID 87783820

IUPACtrimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
SMILESCO[Si](OC)(OC)C(C)C12CCCCC1O2
InChIInChI=1S/C11H22O4Si/c1-9(16(12-2,13-3)14-4)11-8-6-5-7-10(11)15-11/h9-10H,5-8H2,1-4H3
InChIKeyBMWIOJCSANCBJA-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.97
Rot. Bonds5

About trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane

trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane (PubChem CID 87783820) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane.

Molecular Properties

Compound Nametrimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
PubChem CID87783820
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nametrimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
SMILESCO[Si](OC)(OC)C(C)C12CCCCC1O2
InChIInChI=1S/C11H22O4Si/c1-9(16(12-2,13-3)14-4)11-8-6-5-7-10(11)15-11/h9-10H,5-8H2,1-4H3
InChIKeyBMWIOJCSANCBJA-UHFFFAOYSA-N
XLogP1.97
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.97
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 trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The IUPAC name of trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane (CID 87783820) is trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane.
What is the SMILES notation for trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The canonical SMILES for trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane is CO[Si](OC)(OC)C(C)C12CCCCC1O2.
What is the InChIKey of trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The InChIKey is BMWIOJCSANCBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-9(16(12-2,13-3)14-4)11-8-6-5-7-10(11)15-11/h9-10H,5-8H2,1-4H3.
What are the key properties of trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane has a molecular weight of 246.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane is sourced from PubChem (CID 87783820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).