8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane

C25H24O4 — CID 46911775

IUPAC8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(Oc2ccc3ccccc3c2)cc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C25H24O4/c1-18(24-17-26-25(29-28-24)14-4-5-15-25)19-8-11-22(12-9-19)27-23-13-10-20-6-2-3-7-21(20)16-23/h2-3,6-13,16,24H,1,4-5,14-15,17H2
InChIKeySAMDRZLCYXGSTN-UHFFFAOYSA-N
MW388.46 g/mol
LogP6.26
Rot. Bonds4

About 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane

8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane (PubChem CID 46911775) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
PubChem CID46911775
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(Oc2ccc3ccccc3c2)cc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C25H24O4/c1-18(24-17-26-25(29-28-24)14-4-5-15-25)19-8-11-22(12-9-19)27-23-13-10-20-6-2-3-7-21(20)16-23/h2-3,6-13,16,24H,1,4-5,14-15,17H2
InChIKeySAMDRZLCYXGSTN-UHFFFAOYSA-N
XLogP6.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane (CID 46911775) is 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane is C=C(c1ccc(Oc2ccc3ccccc3c2)cc1)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is SAMDRZLCYXGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-18(24-17-26-25(29-28-24)14-4-5-15-25)19-8-11-22(12-9-19)27-23-13-10-20-6-2-3-7-21(20)16-23/h2-3,6-13,16,24H,1,4-5,14-15,17H2.
What are the key properties of 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane?
8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 388.46 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-naphthalen-2-yloxyphenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 46911775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).