(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane

C13H20O2 — CID 134937914

IUPAC(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@H]1[C@H](C=C)OC(C)(C)OC1(C)C
InChIInChI=1S/C13H20O2/c1-7-9-10-11(8-2)14-13(5,6)15-12(10,3)4/h1,8,10-11H,2,9H2,3-6H3/t10-,11-/m0/s1
InChIKeyHGEBDIVKNUHBAT-QWRGUYRKSA-N
MW208.30 g/mol
LogP2.74
Rot. Bonds2

About (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane

(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane (PubChem CID 134937914) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane.

Molecular Properties

Compound Name(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane
PubChem CID134937914
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@H]1[C@H](C=C)OC(C)(C)OC1(C)C
InChIInChI=1S/C13H20O2/c1-7-9-10-11(8-2)14-13(5,6)15-12(10,3)4/h1,8,10-11H,2,9H2,3-6H3/t10-,11-/m0/s1
InChIKeyHGEBDIVKNUHBAT-QWRGUYRKSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.74
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 (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane?
The IUPAC name of (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane (CID 134937914) is (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane.
What is the SMILES notation for (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane?
The canonical SMILES for (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane is C#CC[C@H]1[C@H](C=C)OC(C)(C)OC1(C)C.
What is the InChIKey of (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane?
The InChIKey is HGEBDIVKNUHBAT-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H20O2/c1-7-9-10-11(8-2)14-13(5,6)15-12(10,3)4/h1,8,10-11H,2,9H2,3-6H3/t10-,11-/m0/s1.
What are the key properties of (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane?
(5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane has a molecular weight of 208.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-ethenyl-2,2,4,4-tetramethyl-5-prop-2-ynyl-1,3-dioxane is sourced from PubChem (CID 134937914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).