6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one

C7H10O4 — CID 13156598

IUPAC6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one
SMILESCC1=C(O)OC(C)(C)OC1=O
InChIInChI=1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h8H,1-3H3
InChIKeyYCMVTHYUJKFCAF-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.09
Rot. Bonds

About 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one

6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one (PubChem CID 13156598) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one
PubChem CID13156598
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one
SMILESCC1=C(O)OC(C)(C)OC1=O
InChIInChI=1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h8H,1-3H3
InChIKeyYCMVTHYUJKFCAF-UHFFFAOYSA-N
XLogP1.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one (CID 13156598) is 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one is CC1=C(O)OC(C)(C)OC1=O.
What is the InChIKey of 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one?
The InChIKey is YCMVTHYUJKFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h8H,1-3H3.
What are the key properties of 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one?
6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one has a molecular weight of 158.15 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2,5-trimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 13156598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).