8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one

C10H14O4 — CID 10608011

IUPAC8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
SMILESCC1(C)OC(=O)C2=C(O1)C(O)CCC2
InChIInChI=1S/C10H14O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h7,11H,3-5H2,1-2H3
InChIKeyUZJSHDHMNLRNSI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.09
Rot. Bonds

About 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one

8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one (PubChem CID 10608011) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one.

Molecular Properties

Compound Name8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
PubChem CID10608011
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
SMILESCC1(C)OC(=O)C2=C(O1)C(O)CCC2
InChIInChI=1S/C10H14O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h7,11H,3-5H2,1-2H3
InChIKeyUZJSHDHMNLRNSI-UHFFFAOYSA-N
XLogP1.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(1S,2S)-2-hydroxycyclohexyl]oxycyclohexene-1-carboxylate
CID 14915699
methyl 2-[(1S,2S)-2-hydroxycycloheptyl]oxycyclohexene-1-carboxylate
CID 14924825
Ethyl 2,3-dihydroxycyclohexene-1-carboxylate
CID 141040887
Ethyl 2-hydroxy-3-methoxycyclohexene-1-carboxylate
CID 144210264
2,3-Dimethoxycyclohexene-1-carboxylic acid
CID 150676182
Ethyl 2-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 151424997
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
8-Hydroperoxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one
CID 10703823
Ethyl 2-[1-hydroxy-2-(2,2,4-trimethyl-6-oxo-1,3-dioxin-5-yl)ethyl]cyclohexene-1-carboxylate
CID 102241995

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
The IUPAC name of 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one (CID 10608011) is 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one.
What is the SMILES notation for 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
The canonical SMILES for 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one is CC1(C)OC(=O)C2=C(O1)C(O)CCC2.
What is the InChIKey of 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
The InChIKey is UZJSHDHMNLRNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2)13-8-6(9(12)14-10)4-3-5-7(8)11/h7,11H,3-5H2,1-2H3.
What are the key properties of 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one?
8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one has a molecular weight of 198.22 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 8-hydroxy-2,2-dimethyl-5,6,7,8-tetrahydro-1,3-benzodioxin-4-one is sourced from PubChem (CID 10608011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).