6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one

C12H18O4 — CID 24864970

IUPAC6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CCC[C@@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C12H18O4/c1-4-5-6-9(13)7-10-8-11(14)16-12(2,3)15-10/h4,8-9,13H,1,5-7H2,2-3H3/t9-/m1/s1
InChIKeyHXEINNHPTJHWRW-SECBINFHSA-N
MW226.27 g/mol
LogP1.90
Rot. Bonds5

About 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 24864970) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID24864970
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESC=CCC[C@@H](O)CC1=CC(=O)OC(C)(C)O1
InChIInChI=1S/C12H18O4/c1-4-5-6-9(13)7-10-8-11(14)16-12(2,3)15-10/h4,8-9,13H,1,5-7H2,2-3H3/t9-/m1/s1
InChIKeyHXEINNHPTJHWRW-SECBINFHSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 24864970) is 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one is C=CCC[C@@H](O)CC1=CC(=O)OC(C)(C)O1.
What is the InChIKey of 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is HXEINNHPTJHWRW-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O4/c1-4-5-6-9(13)7-10-8-11(14)16-12(2,3)15-10/h4,8-9,13H,1,5-7H2,2-3H3/t9-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 226.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxyhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 24864970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).