8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one

C20H26O7 — CID 10691048

IUPAC8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
SMILESCC1(C)OC(=O)C2=C(O1)C(OC1CCCC3=C1OC(C)(C)OC3=O)CCC2
InChIInChI=1S/C20H26O7/c1-19(2)24-15-11(17(21)26-19)7-5-9-13(15)23-14-10-6-8-12-16(14)25-20(3,4)27-18(12)22/h13-14H,5-10H2,1-4H3
InChIKeyNETSVMOGMLBBAL-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.24
Rot. Bonds2

About 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one

8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one (PubChem CID 10691048) has the molecular formula C20H26O7 and a molecular weight of 378.42 g/mol. Its IUPAC name is 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
PubChem CID10691048
Molecular FormulaC20H26O7
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Name8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
SMILESCC1(C)OC(=O)C2=C(O1)C(OC1CCCC3=C1OC(C)(C)OC3=O)CCC2
InChIInChI=1S/C20H26O7/c1-19(2)24-15-11(17(21)26-19)7-5-9-13(15)23-14-10-6-8-12-16(14)25-20(3,4)27-18(12)22/h13-14H,5-10H2,1-4H3
InChIKeyNETSVMOGMLBBAL-UHFFFAOYSA-N
XLogP3.24
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one with MolForge

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Related Compounds

2,2-Dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 11344377
Ethyl 2-(methoxymethoxy)cyclohexene-1-carboxylate
CID 131851758
2-tert-Butyl-5,6,7,8-tetrahydro-4H-1,3-benzodioxin-4-one
CID 580606
Ethyl 2,3-dimethoxycyclohexene-1-carboxylate
CID 141171987
8-Hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 10608011
8-Hydroperoxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 10703823
[(2S,8R)-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl] acetate
CID 11245530
[(2S,8S)-2-[(1S)-1-acetyloxyheptyl]-5-oxo-2,3,4,6,7,8-hexahydrochromen-8-yl] acetate
CID 11394474
Ethyl 2-((ethoxycarbonyl)oxy)cyclohex-1-ene-1-carboxylate
CID 172878107

Frequently Asked Questions

What is the IUPAC name of 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
The IUPAC name of 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one (CID 10691048) is 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one.
What is the SMILES notation for 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
The canonical SMILES for 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one is CC1(C)OC(=O)C2=C(O1)C(OC1CCCC3=C1OC(C)(C)OC3=O)CCC2.
What is the InChIKey of 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
The InChIKey is NETSVMOGMLBBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O7/c1-19(2)24-15-11(17(21)26-19)7-5-9-13(15)23-14-10-6-8-12-16(14)25-20(3,4)27-18(12)22/h13-14H,5-10H2,1-4H3.
What are the key properties of 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one has a molecular weight of 378.42 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,2-dimethyl-4-oxo-5,6,7,8-tetrahydro-1,3-benzodioxin-8-yl)oxy]-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one is sourced from PubChem (CID 10691048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).