(4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane

C15H22O4 — CID 134867214

IUPAC(4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1/C=C1\OC(C)(C)OCC1=C
InChIInChI=1S/C15H22O4/c1-7-11-13(19-15(5,6)17-11)8-12-10(2)9-16-14(3,4)18-12/h7-8,11,13H,1-2,9H2,3-6H3/b12-8-/t11-,13-/m1/s1
InChIKeyUUAVOKLFXTXGGD-KCWVNHISSA-N
MW266.34 g/mol
LogP2.92
Rot. Bonds2

About (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane

(4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane (PubChem CID 134867214) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane.

Molecular Properties

Compound Name(4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane
PubChem CID134867214
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane
SMILESC=C[C@H]1OC(C)(C)O[C@@H]1/C=C1\OC(C)(C)OCC1=C
InChIInChI=1S/C15H22O4/c1-7-11-13(19-15(5,6)17-11)8-12-10(2)9-16-14(3,4)18-12/h7-8,11,13H,1-2,9H2,3-6H3/b12-8-/t11-,13-/m1/s1
InChIKeyUUAVOKLFXTXGGD-KCWVNHISSA-N
XLogP2.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane?
The IUPAC name of (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane (CID 134867214) is (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane.
What is the SMILES notation for (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane?
The canonical SMILES for (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane is C=C[C@H]1OC(C)(C)O[C@@H]1/C=C1\OC(C)(C)OCC1=C.
What is the InChIKey of (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane?
The InChIKey is UUAVOKLFXTXGGD-KCWVNHISSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-11-13(19-15(5,6)17-11)8-12-10(2)9-16-14(3,4)18-12/h7-8,11,13H,1-2,9H2,3-6H3/b12-8-/t11-,13-/m1/s1.
What are the key properties of (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane?
(4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane has a molecular weight of 266.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]-2,2-dimethyl-5-methylidene-1,3-dioxane is sourced from PubChem (CID 134867214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).