(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one

C20H28O6 — CID 131749935

IUPAC(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
SMILESC[C@@H]1CC[C@@H](O)/C=C/C=C\C(=O)O1.C[C@@H]1CC[C@@H](O)/C=C/C=C\C(=O)O1
InChIInChI=1S/2C10H14O3/c2*1-8-6-7-9(11)4-2-3-5-10(12)13-8/h2*2-5,8-9,11H,6-7H2,1H3/b2*4-2+,5-3-/t2*8-,9+/m11/s1
InChIKeyVZTQSZIJPREHHW-JXWXQBTGSA-N
MW364.44 g/mol
LogP2.37
Rot. Bonds

About (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one

(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one (PubChem CID 131749935) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one.

Molecular Properties

Compound Name(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
PubChem CID131749935
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
SMILESC[C@@H]1CC[C@@H](O)/C=C/C=C\C(=O)O1.C[C@@H]1CC[C@@H](O)/C=C/C=C\C(=O)O1
InChIInChI=1S/2C10H14O3/c2*1-8-6-7-9(11)4-2-3-5-10(12)13-8/h2*2-5,8-9,11H,6-7H2,1H3/b2*4-2+,5-3-/t2*8-,9+/m11/s1
InChIKeyVZTQSZIJPREHHW-JXWXQBTGSA-N
XLogP2.37
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one with MolForge

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Related Compounds

(2R,5R,6Z,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 140681812
(3Z,5S,8R,11Z,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CID 24871236
(3E,5R,6R,9E,11R,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 42644295
(3E,5S,6R,9E,11R,14R)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
CID 10469094
(3Z,5R,8R,11Z,14S,16R)-5,14-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CID 163012822
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10949443
(3Z,5Z,8R,9Z,11Z,14R,16R,17Z,19Z,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163070469
(3Z,5E,8R,9E,11Z,14S,16R,17E,22R)-8,14,16-trihydroxy-22-methyl-1-oxacyclodocosa-3,5,9,11,17-pentaen-2-one
CID 162913525
(3Z,5Z,8R,9Z,11Z,13R,14R,16R,17Z,19Z,24R)-8,13,14,16-tetrahydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 139587772
8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
CID 72731979
(3E,5S,8S,11E,16S)-5,8-dihydroxy-16-methyl-1-oxacyclohexadeca-3,11-dien-2-one
CID 176812223
(6R)-9-hydroxy-6-methyl-5,11-dioxabicyclo[8.1.0]undec-2-en-4-one
CID 139587183

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
The IUPAC name of (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one (CID 131749935) is (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one.
What is the SMILES notation for (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
The canonical SMILES for (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one is C[C@@H]1CC[C@@H](O)/C=C/C=C\C(=O)O1.C[C@@H]1CC[C@@H](O)/C=C/C=C\C(=O)O1.
What is the InChIKey of (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
The InChIKey is VZTQSZIJPREHHW-JXWXQBTGSA-N. The full InChI is InChI=1S/2C10H14O3/c2*1-8-6-7-9(11)4-2-3-5-10(12)13-8/h2*2-5,8-9,11H,6-7H2,1H3/b2*4-2+,5-3-/t2*8-,9+/m11/s1.
What are the key properties of (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one has a molecular weight of 364.44 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one is sourced from PubChem (CID 131749935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).