trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate

C13H26O5Si — CID 174784133

IUPACtrimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate
SMILESCCC(CC1CCC2OC2C1)O[Si](OC)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-5-11(18-19(14-2,15-3)16-4)8-10-6-7-12-13(9-10)17-12/h10-13H,5-9H2,1-4H3
InChIKeySAJRQMHOZLIFKZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.11
Rot. Bonds8

About trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate

trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate (PubChem CID 174784133) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate.

Molecular Properties

Compound Nametrimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate
PubChem CID174784133
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Nametrimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate
SMILESCCC(CC1CCC2OC2C1)O[Si](OC)(OC)OC
InChIInChI=1S/C13H26O5Si/c1-5-11(18-19(14-2,15-3)16-4)8-10-6-7-12-13(9-10)17-12/h10-13H,5-9H2,1-4H3
InChIKeySAJRQMHOZLIFKZ-UHFFFAOYSA-N
XLogP2.11
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate?
The IUPAC name of trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate (CID 174784133) is trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate.
What is the SMILES notation for trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate?
The canonical SMILES for trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate is CCC(CC1CCC2OC2C1)O[Si](OC)(OC)OC.
What is the InChIKey of trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate?
The InChIKey is SAJRQMHOZLIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-5-11(18-19(14-2,15-3)16-4)8-10-6-7-12-13(9-10)17-12/h10-13H,5-9H2,1-4H3.
What are the key properties of trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate?
trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate has a molecular weight of 290.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl silicate is sourced from PubChem (CID 174784133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).