8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene

C15H18O3 — CID 10658084

IUPAC8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene
SMILESCOC1(c2ccccc2)C=CC2(CCCC2)OO1
InChIInChI=1S/C15H18O3/c1-16-15(13-7-3-2-4-8-13)12-11-14(17-18-15)9-5-6-10-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyRHJDKPLFCCEEHS-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.32
Rot. Bonds2

About 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene

8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene (PubChem CID 10658084) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene.

Molecular Properties

Compound Name8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene
PubChem CID10658084
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene
SMILESCOC1(c2ccccc2)C=CC2(CCCC2)OO1
InChIInChI=1S/C15H18O3/c1-16-15(13-7-3-2-4-8-13)12-11-14(17-18-15)9-5-6-10-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
InChIKeyRHJDKPLFCCEEHS-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene?
The IUPAC name of 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene (CID 10658084) is 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene.
What is the SMILES notation for 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene?
The canonical SMILES for 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene is COC1(c2ccccc2)C=CC2(CCCC2)OO1.
What is the InChIKey of 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene?
The InChIKey is RHJDKPLFCCEEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-16-15(13-7-3-2-4-8-13)12-11-14(17-18-15)9-5-6-10-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3.
What are the key properties of 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene?
8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene has a molecular weight of 246.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-phenyl-6,7-dioxaspiro[4.5]dec-9-ene is sourced from PubChem (CID 10658084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).