8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane

C30H34O7 — CID 25004471

IUPAC8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(Oc2cccc(C(=C)C3COC4(CCCC4)OO3)c2)cc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C30H34O7/c1-21(27-19-31-29(36-34-27)14-3-4-15-29)23-10-12-25(13-11-23)33-26-9-7-8-24(18-26)22(2)28-20-32-30(37-35-28)16-5-6-17-30/h7-13,18,27-28H,1-6,14-17,19-20H2
InChIKeyBMSMGNRTIVOHFL-UHFFFAOYSA-N
MW506.60 g/mol
LogP6.74
Rot. Bonds6

About 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane

8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane (PubChem CID 25004471) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
PubChem CID25004471
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane
SMILESC=C(c1ccc(Oc2cccc(C(=C)C3COC4(CCCC4)OO3)c2)cc1)C1COC2(CCCC2)OO1
InChIInChI=1S/C30H34O7/c1-21(27-19-31-29(36-34-27)14-3-4-15-29)23-10-12-25(13-11-23)33-26-9-7-8-24(18-26)22(2)28-20-32-30(37-35-28)16-5-6-17-30/h7-13,18,27-28H,1-6,14-17,19-20H2
InChIKeyBMSMGNRTIVOHFL-UHFFFAOYSA-N
XLogP6.74
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.60
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The IUPAC name of 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane (CID 25004471) is 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane is C=C(c1ccc(Oc2cccc(C(=C)C3COC4(CCCC4)OO3)c2)cc1)C1COC2(CCCC2)OO1.
What is the InChIKey of 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
The InChIKey is BMSMGNRTIVOHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O7/c1-21(27-19-31-29(36-34-27)14-3-4-15-29)23-10-12-25(13-11-23)33-26-9-7-8-24(18-26)22(2)28-20-32-30(37-35-28)16-5-6-17-30/h7-13,18,27-28H,1-6,14-17,19-20H2.
What are the key properties of 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane?
8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane has a molecular weight of 506.60 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[3-[4-[1-(6,7,10-trioxaspiro[4.5]decan-8-yl)ethenyl]phenoxy]phenyl]ethenyl]-6,7,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 25004471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).