(2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane

C19H24O2 — CID 12003260

IUPAC(2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane
SMILESC=C[C@]1(CC)C[C@@](C#CC)(CC)O[C@H](c2ccccc2)O1
InChIInChI=1S/C19H24O2/c1-5-14-19(8-4)15-18(6-2,7-3)20-17(21-19)16-12-10-9-11-13-16/h6,9-13,17H,2,7-8,15H2,1,3-4H3/t17-,18+,19+/m1/s1
InChIKeyZBGOUNNYQHUTNC-QYZOEREBSA-N
MW284.40 g/mol
LogP4.63
Rot. Bonds4

About (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane

(2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane (PubChem CID 12003260) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane
PubChem CID12003260
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane
SMILESC=C[C@]1(CC)C[C@@](C#CC)(CC)O[C@H](c2ccccc2)O1
InChIInChI=1S/C19H24O2/c1-5-14-19(8-4)15-18(6-2,7-3)20-17(21-19)16-12-10-9-11-13-16/h6,9-13,17H,2,7-8,15H2,1,3-4H3/t17-,18+,19+/m1/s1
InChIKeyZBGOUNNYQHUTNC-QYZOEREBSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.63
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 (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane?
The IUPAC name of (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane (CID 12003260) is (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane.
What is the SMILES notation for (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane?
The canonical SMILES for (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane is C=C[C@]1(CC)C[C@@](C#CC)(CC)O[C@H](c2ccccc2)O1.
What is the InChIKey of (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane?
The InChIKey is ZBGOUNNYQHUTNC-QYZOEREBSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-14-19(8-4)15-18(6-2,7-3)20-17(21-19)16-12-10-9-11-13-16/h6,9-13,17H,2,7-8,15H2,1,3-4H3/t17-,18+,19+/m1/s1.
What are the key properties of (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane?
(2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane has a molecular weight of 284.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-4-ethenyl-4,6-diethyl-2-phenyl-6-prop-1-ynyl-1,3-dioxane is sourced from PubChem (CID 12003260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).