7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane

C9H14O2 — CID 154978917

IUPAC7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
SMILESCOC1CC2CC(C1)C1OC21
InChIInChI=1S/C9H14O2/c1-10-7-3-5-2-6(4-7)9-8(5)11-9/h5-9H,2-4H2,1H3
InChIKeyVTXGJPOUGRIKCZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds1

About 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane

7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane (PubChem CID 154978917) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane.

Molecular Properties

Compound Name7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
PubChem CID154978917
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
SMILESCOC1CC2CC(C1)C1OC21
InChIInChI=1S/C9H14O2/c1-10-7-3-5-2-6(4-7)9-8(5)11-9/h5-9H,2-4H2,1H3
InChIKeyVTXGJPOUGRIKCZ-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane?
The IUPAC name of 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane (CID 154978917) is 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane.
What is the SMILES notation for 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane?
The canonical SMILES for 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane is COC1CC2CC(C1)C1OC21.
What is the InChIKey of 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane?
The InChIKey is VTXGJPOUGRIKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-10-7-3-5-2-6(4-7)9-8(5)11-9/h5-9H,2-4H2,1H3.
What are the key properties of 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane?
7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane has a molecular weight of 154.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane is sourced from PubChem (CID 154978917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).