(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

C12H22O4 — CID 59351925

IUPAC(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESC=C[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1CC
InChIInChI=1S/C12H22O4/c1-7-9-10(8-2)16-12(4,14-6)11(3,13-5)15-9/h7,9-10H,1,8H2,2-6H3/t9-,10-,11-,12-/m1/s1
InChIKeyAJVCQSZHLLMFJZ-DDHJBXDOSA-N
MW230.30 g/mol
LogP2.09
Rot. Bonds4

About (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (PubChem CID 59351925) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
PubChem CID59351925
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
SMILESC=C[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1CC
InChIInChI=1S/C12H22O4/c1-7-9-10(8-2)16-12(4,14-6)11(3,13-5)15-9/h7,9-10H,1,8H2,2-6H3/t9-,10-,11-,12-/m1/s1
InChIKeyAJVCQSZHLLMFJZ-DDHJBXDOSA-N
XLogP2.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
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 (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The IUPAC name of (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane (CID 59351925) is (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane.
What is the SMILES notation for (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The canonical SMILES for (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is C=C[C@H]1O[C@@](C)(OC)[C@](C)(OC)O[C@@H]1CC.
What is the InChIKey of (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
The InChIKey is AJVCQSZHLLMFJZ-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H22O4/c1-7-9-10(8-2)16-12(4,14-6)11(3,13-5)15-9/h7,9-10H,1,8H2,2-6H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane?
(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane has a molecular weight of 230.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane is sourced from PubChem (CID 59351925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).