(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane

C11H20O4 — CID 11171948

IUPAC(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane
SMILESC=C[C@H]1O[C@](C)(OC)[C@@](C)(OC)O[C@@H]1C
InChIInChI=1S/C11H20O4/c1-7-9-8(2)14-10(3,12-5)11(4,13-6)15-9/h7-9H,1H2,2-6H3/t8-,9-,10+,11+/m1/s1
InChIKeyYZJNPIQTCPCZLV-ZNSHCXBVSA-N
MW216.28 g/mol
LogP1.70
Rot. Bonds3

About (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane

(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane (PubChem CID 11171948) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane
PubChem CID11171948
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane
SMILESC=C[C@H]1O[C@](C)(OC)[C@@](C)(OC)O[C@@H]1C
InChIInChI=1S/C11H20O4/c1-7-9-8(2)14-10(3,12-5)11(4,13-6)15-9/h7-9H,1H2,2-6H3/t8-,9-,10+,11+/m1/s1
InChIKeyYZJNPIQTCPCZLV-ZNSHCXBVSA-N
XLogP1.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S)-5-(2,2-dibromoethenyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 101838864
1,3-Dioxolane, 2,2-dimethyl-4,5-divinyl-
CID 538638
(2R,3R,5S)-5-[(E)-2-iodoethenyl]-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 24806806
(2R,3R,5S)-2,3-dimethoxy-2,3-dimethyl-5-[(E)-prop-1-enyl]-1,4-dioxane
CID 101838979
3,4-Bis(1,1-dimethoxyethoxy)but-1-ene
CID 135011204
(4S,5S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
CID 178325740
2-Pent-4-en-2-yloxyethyl prop-2-enyl carbonate
CID 156596262
4-Ethenyl-2,2-dimethyl-5-prop-2-enoxy-1,3-dioxane
CID 10465336
4-Ethenyl-5-ethyl-2,2-dimethyl-1,3-dioxolane
CID 13497315
3-(2-Methoxyethoxy)-3-(2-propan-2-yloxyethoxy)cyclohexa-1,4-diene
CID 21248444
2,3,5,6-Tetrakis(ethenyl)-1,4-dioxane
CID 21315297
1,1,1,2-Tetrakis(prop-2-enoxy)propane
CID 21917885

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane?
The IUPAC name of (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane (CID 11171948) is (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane.
What is the SMILES notation for (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane?
The canonical SMILES for (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane is C=C[C@H]1O[C@](C)(OC)[C@@](C)(OC)O[C@@H]1C.
What is the InChIKey of (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane?
The InChIKey is YZJNPIQTCPCZLV-ZNSHCXBVSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-9-8(2)14-10(3,12-5)11(4,13-6)15-9/h7-9H,1H2,2-6H3/t8-,9-,10+,11+/m1/s1.
What are the key properties of (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane?
(2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane has a molecular weight of 216.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R,6R)-5-ethenyl-2,3-dimethoxy-2,3,6-trimethyl-1,4-dioxane is sourced from PubChem (CID 11171948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).