[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate

C24H32O6 — CID 11144191

IUPAC[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate
SMILESCOc1cc(COC(C)=O)c(/C=C/C2=C(C)CCC3(OCCO3)C2(C)C)c(OC)c1
InChIInChI=1S/C24H32O6/c1-16-9-10-24(29-11-12-30-24)23(3,4)21(16)8-7-20-18(15-28-17(2)25)13-19(26-5)14-22(20)27-6/h7-8,13-14H,9-12,15H2,1-6H3/b8-7+
InChIKeyVPLVWOSTVNKUFP-BQYQJAHWSA-N
MW416.51 g/mol
LogP4.66
Rot. Bonds6

About [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate

[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate (PubChem CID 11144191) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate
PubChem CID11144191
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate
SMILESCOc1cc(COC(C)=O)c(/C=C/C2=C(C)CCC3(OCCO3)C2(C)C)c(OC)c1
InChIInChI=1S/C24H32O6/c1-16-9-10-24(29-11-12-30-24)23(3,4)21(16)8-7-20-18(15-28-17(2)25)13-19(26-5)14-22(20)27-6/h7-8,13-14H,9-12,15H2,1-6H3/b8-7+
InChIKeyVPLVWOSTVNKUFP-BQYQJAHWSA-N
XLogP4.66
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate?
The IUPAC name of [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate (CID 11144191) is [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate.
What is the SMILES notation for [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate?
The canonical SMILES for [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate is COc1cc(COC(C)=O)c(/C=C/C2=C(C)CCC3(OCCO3)C2(C)C)c(OC)c1.
What is the InChIKey of [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate?
The InChIKey is VPLVWOSTVNKUFP-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H32O6/c1-16-9-10-24(29-11-12-30-24)23(3,4)21(16)8-7-20-18(15-28-17(2)25)13-19(26-5)14-22(20)27-6/h7-8,13-14H,9-12,15H2,1-6H3/b8-7+.
What are the key properties of [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate?
[3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate has a molecular weight of 416.51 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-2-[(E)-2-(6,6,8-trimethyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethenyl]phenyl]methyl acetate is sourced from PubChem (CID 11144191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).