7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

C11H16O4 — CID 14127259

IUPAC7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESCOC12CCC3OC3C1CC21OCCO1
InChIInChI=1S/C11H16O4/c1-12-10-3-2-8-9(15-8)7(10)6-11(10)13-4-5-14-11/h7-9H,2-6H2,1H3
InChIKeyPYTPTBDETNAGLY-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.70
Rot. Bonds1

About 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]

7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (PubChem CID 14127259) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].

Molecular Properties

Compound Name7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
PubChem CID14127259
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
SMILESCOC12CCC3OC3C1CC21OCCO1
InChIInChI=1S/C11H16O4/c1-12-10-3-2-8-9(15-8)7(10)6-11(10)13-4-5-14-11/h7-9H,2-6H2,1H3
InChIKeyPYTPTBDETNAGLY-UHFFFAOYSA-N
XLogP0.70
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The IUPAC name of 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] (CID 14127259) is 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane].
What is the SMILES notation for 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The canonical SMILES for 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is COC12CCC3OC3C1CC21OCCO1.
What is the InChIKey of 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
The InChIKey is PYTPTBDETNAGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-12-10-3-2-8-9(15-8)7(10)6-11(10)13-4-5-14-11/h7-9H,2-6H2,1H3.
What are the key properties of 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]?
7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] has a molecular weight of 212.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methoxyspiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane] is sourced from PubChem (CID 14127259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).