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

C11H16O2 — CID 15030849

IUPAC(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@@H]1C[C@@H](C=C)OC(C)(C)O1
InChIInChI=1S/C11H16O2/c1-5-7-10-8-9(6-2)12-11(3,4)13-10/h1,6,9-10H,2,7-8H2,3-4H3/t9-,10-/m1/s1
InChIKeyISTKNZFIIFDUOH-NXEZZACHSA-N
MW180.25 g/mol
LogP2.11
Rot. Bonds2

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

(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane (PubChem CID 15030849) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane
PubChem CID15030849
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane
SMILESC#CC[C@@H]1C[C@@H](C=C)OC(C)(C)O1
InChIInChI=1S/C11H16O2/c1-5-7-10-8-9(6-2)12-11(3,4)13-10/h1,6,9-10H,2,7-8H2,3-4H3/t9-,10-/m1/s1
InChIKeyISTKNZFIIFDUOH-NXEZZACHSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.11
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-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane?
The IUPAC name of (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane (CID 15030849) is (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane.
What is the SMILES notation for (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane?
The canonical SMILES for (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane is C#CC[C@@H]1C[C@@H](C=C)OC(C)(C)O1.
What is the InChIKey of (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane?
The InChIKey is ISTKNZFIIFDUOH-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-7-10-8-9(6-2)12-11(3,4)13-10/h1,6,9-10H,2,7-8H2,3-4H3/t9-,10-/m1/s1.
What are the key properties of (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane?
(4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane has a molecular weight of 180.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-ethenyl-2,2-dimethyl-6-prop-2-ynyl-1,3-dioxane is sourced from PubChem (CID 15030849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).