7,7-dimethoxydispiro[2.0.24.13]heptane

C9H14O2 — CID 15273269

IUPAC7,7-dimethoxydispiro[2.0.24.13]heptane
SMILESCOC1(OC)C2(CC2)C12CC2
InChIInChI=1S/C9H14O2/c1-10-9(11-2)7(3-4-7)8(9)5-6-8/h3-6H2,1-2H3
InChIKeyDFRITSFTWPOYAS-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.55
Rot. Bonds2

About 7,7-dimethoxydispiro[2.0.24.13]heptane

7,7-dimethoxydispiro[2.0.24.13]heptane (PubChem CID 15273269) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7,7-dimethoxydispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7,7-dimethoxydispiro[2.0.24.13]heptane
PubChem CID15273269
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7,7-dimethoxydispiro[2.0.24.13]heptane
SMILESCOC1(OC)C2(CC2)C12CC2
InChIInChI=1S/C9H14O2/c1-10-9(11-2)7(3-4-7)8(9)5-6-8/h3-6H2,1-2H3
InChIKeyDFRITSFTWPOYAS-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethoxydispiro[2.0.24.13]heptane?
The IUPAC name of 7,7-dimethoxydispiro[2.0.24.13]heptane (CID 15273269) is 7,7-dimethoxydispiro[2.0.24.13]heptane.
What is the SMILES notation for 7,7-dimethoxydispiro[2.0.24.13]heptane?
The canonical SMILES for 7,7-dimethoxydispiro[2.0.24.13]heptane is COC1(OC)C2(CC2)C12CC2.
What is the InChIKey of 7,7-dimethoxydispiro[2.0.24.13]heptane?
The InChIKey is DFRITSFTWPOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-10-9(11-2)7(3-4-7)8(9)5-6-8/h3-6H2,1-2H3.
What are the key properties of 7,7-dimethoxydispiro[2.0.24.13]heptane?
7,7-dimethoxydispiro[2.0.24.13]heptane has a molecular weight of 154.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethoxydispiro[2.0.24.13]heptane is sourced from PubChem (CID 15273269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).