(6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one

C11H14O3 — CID 142967402

IUPAC(6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one
SMILESC=C1C(=O)OC(C)(C)O/C1=C/C=C\C
InChIInChI=1S/C11H14O3/c1-5-6-7-9-8(2)10(12)14-11(3,4)13-9/h5-7H,2H2,1,3-4H3/b6-5-,9-7+
InChIKeyDZPDVPJAQIUBPO-BZWSEGBZSA-N
MW194.23 g/mol
LogP2.31
Rot. Bonds1

About (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one

(6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one (PubChem CID 142967402) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one
PubChem CID142967402
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one
SMILESC=C1C(=O)OC(C)(C)O/C1=C/C=C\C
InChIInChI=1S/C11H14O3/c1-5-6-7-9-8(2)10(12)14-11(3,4)13-9/h5-7H,2H2,1,3-4H3/b6-5-,9-7+
InChIKeyDZPDVPJAQIUBPO-BZWSEGBZSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one (CID 142967402) is (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one?
The canonical SMILES for (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one is C=C1C(=O)OC(C)(C)O/C1=C/C=C\C.
What is the InChIKey of (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one?
The InChIKey is DZPDVPJAQIUBPO-BZWSEGBZSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-6-7-9-8(2)10(12)14-11(3,4)13-9/h5-7H,2H2,1,3-4H3/b6-5-,9-7+.
What are the key properties of (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one?
(6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one has a molecular weight of 194.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-but-2-enylidene]-2,2-dimethyl-5-methylidene-1,3-dioxan-4-one is sourced from PubChem (CID 142967402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).