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

C12H18O4 — CID 134930716

IUPAC6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC(C)=C[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C12H18O4/c1-8(2)5-9(13)6-10-7-11(14)16-12(3,4)15-10/h5,7,9,13H,6H2,1-4H3/t9-/m0/s1
InChIKeyQICJXUUUHFTIMW-VIFPVBQESA-N
MW226.27 g/mol
LogP1.90
Rot. Bonds3

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

6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 134930716) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID134930716
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCC(C)=C[C@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C12H18O4/c1-8(2)5-9(13)6-10-7-11(14)16-12(3,4)15-10/h5,7,9,13H,6H2,1-4H3/t9-/m0/s1
InChIKeyQICJXUUUHFTIMW-VIFPVBQESA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

Chlamydospordiol
CID 190904
2H-Pyran-2-one, 5-(hydroxymethyl)-4-methoxy-6-propyl-
CID 10352700
5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10024065
5-Hydroxy-4-[5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10548221
(2R)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
CID 164610755
(2S)-3-[(2R,6R)-6-hydroxy-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,6-dihydro-2H-pyran-2-yl]-2-methoxy-2H-furan-5-one
CID 164626182
2-hydroxy-3-(6-hydroxy-5-methyl-3,6-dihydro-2H-pyran-2-yl)-2H-furan-5-one
CID 10954847
Pyrenocine C
CID 6439921
Aurantiacone
CID 54686940
Germicidin M
CID 146684237
Germicidin N
CID 146684238
3-[5-[(E)-but-2-enyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one
CID 10489973

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 134930716) is 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is CC(C)=C[C@H](O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is QICJXUUUHFTIMW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18O4/c1-8(2)5-9(13)6-10-7-11(14)16-12(3,4)15-10/h5,7,9,13H,6H2,1-4H3/t9-/m0/s1.
What are the key properties of 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 226.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxy-4-methylpent-3-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 134930716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).