6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

C10H14O4 — CID 10352698

IUPAC6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=C[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C10H14O4/c1-4-7(11)5-8-6-9(12)14-10(2,3)13-8/h4,6-7,11H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyYCUIOZXZSNNLTD-ZETCQYMHSA-N
MW198.22 g/mol
LogP1.12
Rot. Bonds3

About 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 10352698) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID10352698
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=C[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C10H14O4/c1-4-7(11)5-8-6-9(12)14-10(2,3)13-8/h4,6-7,11H,1,5H2,2-3H3/t7-/m0/s1
InChIKeyYCUIOZXZSNNLTD-ZETCQYMHSA-N
XLogP1.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one with MolForge

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Related Compounds

(E)-3-(4-methoxy-3-methyl-6-oxo-2,3-dihydropyran-2-yl)prop-2-enoic acid
CID 44566950
Pyrenocine C
CID 6439921
Clearanol A
CID 52316412
4-hydroxy-6-[(2S)-2-hydroxypropyl]-3-methylpyran-2-one
CID 54697862
5-[(E,1R)-1-hydroxybut-2-enyl]-4-methoxy-6-methylpyran-2-one
CID 134159025
Tolypocladone A
CID 139591339
6-(2'R-hydroxy-3'E,5'E-diene-1'-heptyl)-4-hydroxy-3-methyl-2H-pyran-2-one
CID 146682577
6-(3,4-Dihydroxypent-1-enyl)-4-methoxypyran-2-one
CID 162966874
6-[(2R)-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 130890338
6-(2-Hydroxy-3-buten-1-yl)-2,2-dimethyl-4H-1,3-dioxin-4-one
CID 11106319
6-[(E,6R)-6-hydroxyhept-1-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 14446774
6-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 14546608

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 10352698) is 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is C=C[C@H](O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is YCUIOZXZSNNLTD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-7(11)5-8-6-9(12)14-10(2,3)13-8/h4,6-7,11H,1,5H2,2-3H3/t7-/m0/s1.
What are the key properties of 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 198.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 10352698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).