2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane

C9H12O3 — CID 58785768

IUPAC2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane
SMILESC=COC1C2CC3COC1C3O2
InChIInChI=1S/C9H12O3/c1-2-10-8-6-3-5-4-11-9(8)7(5)12-6/h2,5-9H,1,3-4H2
InChIKeyKNQOEIGZXXLAES-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.70
Rot. Bonds2

About 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane

2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane (PubChem CID 58785768) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane.

Molecular Properties

Compound Name2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane
PubChem CID58785768
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane
SMILESC=COC1C2CC3COC1C3O2
InChIInChI=1S/C9H12O3/c1-2-10-8-6-3-5-4-11-9(8)7(5)12-6/h2,5-9H,1,3-4H2
InChIKeyKNQOEIGZXXLAES-UHFFFAOYSA-N
XLogP0.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane?
The IUPAC name of 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane (CID 58785768) is 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane.
What is the SMILES notation for 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane?
The canonical SMILES for 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane is C=COC1C2CC3COC1C3O2.
What is the InChIKey of 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane?
The InChIKey is KNQOEIGZXXLAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-2-10-8-6-3-5-4-11-9(8)7(5)12-6/h2,5-9H,1,3-4H2.
What are the key properties of 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane?
2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane has a molecular weight of 168.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-4,8-dioxatricyclo[4.2.1.03,7]nonane is sourced from PubChem (CID 58785768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).