(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane

C12H17NO — CID 139458884

IUPAC(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
SMILESC=C/C=C\C=C1\OCNCC1=C(C)C
InChIInChI=1S/C12H17NO/c1-4-5-6-7-12-11(10(2)3)8-13-9-14-12/h4-7,13H,1,8-9H2,2-3H3/b6-5-,12-7+
InChIKeyVIUZTHROCKAYTB-UNKATYBDSA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds2

About (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane

(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane (PubChem CID 139458884) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane.

Molecular Properties

Compound Name(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
PubChem CID139458884
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane
SMILESC=C/C=C\C=C1\OCNCC1=C(C)C
InChIInChI=1S/C12H17NO/c1-4-5-6-7-12-11(10(2)3)8-13-9-14-12/h4-7,13H,1,8-9H2,2-3H3/b6-5-,12-7+
InChIKeyVIUZTHROCKAYTB-UNKATYBDSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane?
The IUPAC name of (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane (CID 139458884) is (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane.
What is the SMILES notation for (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane?
The canonical SMILES for (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane is C=C/C=C\C=C1\OCNCC1=C(C)C.
What is the InChIKey of (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane?
The InChIKey is VIUZTHROCKAYTB-UNKATYBDSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-5-6-7-12-11(10(2)3)8-13-9-14-12/h4-7,13H,1,8-9H2,2-3H3/b6-5-,12-7+.
What are the key properties of (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane?
(6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane has a molecular weight of 191.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2Z)-penta-2,4-dienylidene]-5-propan-2-ylidene-1,3-oxazinane is sourced from PubChem (CID 139458884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).