(4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane

C10H14O2 — CID 135036892

IUPAC(4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane
SMILESC#C[C@H]1C[C@@H](C=C)OC(C)(C)O1
InChIInChI=1S/C10H14O2/c1-5-8-7-9(6-2)12-10(3,4)11-8/h1,6,8-9H,2,7H2,3-4H3/t8-,9+/m0/s1
InChIKeyXNVZXWAIZPJHCZ-DTWKUNHWSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds1

About (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane

(4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane (PubChem CID 135036892) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane
PubChem CID135036892
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane
SMILESC#C[C@H]1C[C@@H](C=C)OC(C)(C)O1
InChIInChI=1S/C10H14O2/c1-5-8-7-9(6-2)12-10(3,4)11-8/h1,6,8-9H,2,7H2,3-4H3/t8-,9+/m0/s1
InChIKeyXNVZXWAIZPJHCZ-DTWKUNHWSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane?
The IUPAC name of (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane (CID 135036892) is (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane is C#C[C@H]1C[C@@H](C=C)OC(C)(C)O1.
What is the InChIKey of (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane?
The InChIKey is XNVZXWAIZPJHCZ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-8-7-9(6-2)12-10(3,4)11-8/h1,6,8-9H,2,7H2,3-4H3/t8-,9+/m0/s1.
What are the key properties of (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane?
(4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane has a molecular weight of 166.22 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-ethenyl-6-ethynyl-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 135036892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).