trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane

C8H16O4Si — CID 141140187

IUPACtrihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
SMILESO[Si](O)(O)CCC12CCCCC1O2
InChIInChI=1S/C8H16O4Si/c9-13(10,11)6-5-8-4-2-1-3-7(8)12-8/h7,9-11H,1-6H2
InChIKeyVHZQGGUNWGSGGM-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.00
Rot. Bonds3

About trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane

trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane (PubChem CID 141140187) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol. Its IUPAC name is trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane.

Molecular Properties

Compound Nametrihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
PubChem CID141140187
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Nametrihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane
SMILESO[Si](O)(O)CCC12CCCCC1O2
InChIInChI=1S/C8H16O4Si/c9-13(10,11)6-5-8-4-2-1-3-7(8)12-8/h7,9-11H,1-6H2
InChIKeyVHZQGGUNWGSGGM-UHFFFAOYSA-N
XLogP0.00
TPSA73.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
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 trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The IUPAC name of trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane (CID 141140187) is trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane.
What is the SMILES notation for trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The canonical SMILES for trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane is O[Si](O)(O)CCC12CCCCC1O2.
What is the InChIKey of trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
The InChIKey is VHZQGGUNWGSGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c9-13(10,11)6-5-8-4-2-1-3-7(8)12-8/h7,9-11H,1-6H2.
What are the key properties of trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane?
trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane has a molecular weight of 204.30 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[2-(7-oxabicyclo[4.1.0]heptan-1-yl)ethyl]silane is sourced from PubChem (CID 141140187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).