6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one

C11H14O4 — CID 134965967

IUPAC6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC#C[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C11H14O4/c1-4-5-8(12)6-9-7-10(13)15-11(2,3)14-9/h7-8,12H,6H2,1-3H3/t8-/m0/s1
InChIKeyOORVNPQYWGPEIA-QMMMGPOBSA-N
MW210.23 g/mol
LogP0.95
Rot. Bonds2

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

6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 134965967) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID134965967
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC#C[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C11H14O4/c1-4-5-8(12)6-9-7-10(13)15-11(2,3)14-9/h7-8,12H,6H2,1-3H3/t8-/m0/s1
InChIKeyOORVNPQYWGPEIA-QMMMGPOBSA-N
XLogP0.95
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

6-[(2R)-2-hydroxypropyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 130890338
6-[(2R)-2-hydroxybut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10352698
6-(2-Hydroxy-3-buten-1-yl)-2,2-dimethyl-4H-1,3-dioxin-4-one
CID 11106319
6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 24864970
6-[(2R)-2-hydroxy-4-tri(propan-2-yl)silylbut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 101695142
4-Hydroxy-6-(2-hydroxypropyl)-2-pyrone
CID 130149459
6-[(E,2R)-2-hydroxy-4-tributylstannylbut-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134930713
6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 134930716
6-[(1E,3Z,6R)-6-hydroxyhepta-1,3-dienyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 135011917
6-(2-Hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 14638421
6-[4-[Tert-butyl(dimethyl)silyl]-2-hydroxybut-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11162696
6-(3-Hydroxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 11183059

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 134965967) is 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is CC#C[C@H](O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is OORVNPQYWGPEIA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-5-8(12)6-9-7-10(13)15-11(2,3)14-9/h7-8,12H,6H2,1-3H3/t8-/m0/s1.
What are the key properties of 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 210.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxypent-3-ynyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 134965967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).