6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one

C15H18O7 — CID 53253267

IUPAC6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)CC2=CC(=O)OC(C)(C)O2)O1
InChIInChI=1S/C15H18O7/c1-14(2)19-10(7-12(17)21-14)5-9(16)6-11-8-13(18)22-15(3,4)20-11/h7-8H,5-6H2,1-4H3
InChIKeyHYCBSHUFWTYKJF-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.72
Rot. Bonds4

About 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 53253267) has the molecular formula C15H18O7 and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID53253267
Molecular FormulaC15H18O7
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC1(C)OC(=O)C=C(CC(=O)CC2=CC(=O)OC(C)(C)O2)O1
InChIInChI=1S/C15H18O7/c1-14(2)19-10(7-12(17)21-14)5-9(16)6-11-8-13(18)22-15(3,4)20-11/h7-8H,5-6H2,1-4H3
InChIKeyHYCBSHUFWTYKJF-UHFFFAOYSA-N
XLogP1.72
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Related Compounds

2,2-Dimethyl-6-(2-oxopropyl)-2,4-dihydro-1,3-dioxin-4-one
CID 14638420
2,2-Dimethyl-6-(3-methyl-2-oxobutyl)-1,3-dioxin-4-one
CID 11206618
6-(3,3-Dimethyl-2-oxobutyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 11264626
Tert-butyl 4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-oxobutanoate
CID 12038446
Prop-2-enyl 4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-oxobutanoate
CID 44518232
2,2-Dimethyl-6-(3-oxobutan-2-yl)-1,3-dioxin-4-one
CID 134846449
2,2-Dimethyl-6-(3-oxobutyl)-4H-1,3-dioxin-4-one
CID 14638423
6-Butyl-2,2-dimethyl-1,3-dioxin-4-one
CID 122228420
2,2-dimethyl-6-[(E)-2-oxopent-3-enyl]-1,3-dioxin-4-one
CID 156810654
2,2-Dimethyl-6-(2-oxopentyl)-1,3-dioxin-4-one
CID 156810655
2,2-Dimethyl-6-(2-oxohex-5-enyl)-1,3-dioxin-4-one
CID 176648667
3-Methylbut-2-enyl 4-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-oxobutanoate
CID 56649928

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 53253267) is 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one is CC1(C)OC(=O)C=C(CC(=O)CC2=CC(=O)OC(C)(C)O2)O1.
What is the InChIKey of 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is HYCBSHUFWTYKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O7/c1-14(2)19-10(7-12(17)21-14)5-9(16)6-11-8-13(18)22-15(3,4)20-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 310.30 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-2-oxopropyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 53253267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).