(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane

C13H21NO — CID 155067853

IUPAC(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane
SMILESC=C1CNCO/C1=C/C=C(\C)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-10-8-14-9-15-12(10)7-6-11(2)13(3,4)5/h6-7,14H,1,8-9H2,2-5H3/b11-6+,12-7+
InChIKeyGEPFGHLBXWJIOW-GNXRPPCSSA-N
MW207.32 g/mol
LogP3.00
Rot. Bonds1

About (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane

(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane (PubChem CID 155067853) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane.

Molecular Properties

Compound Name(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane
PubChem CID155067853
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane
SMILESC=C1CNCO/C1=C/C=C(\C)C(C)(C)C
InChIInChI=1S/C13H21NO/c1-10-8-14-9-15-12(10)7-6-11(2)13(3,4)5/h6-7,14H,1,8-9H2,2-5H3/b11-6+,12-7+
InChIKeyGEPFGHLBXWJIOW-GNXRPPCSSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane?
The IUPAC name of (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane (CID 155067853) is (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane.
What is the SMILES notation for (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane?
The canonical SMILES for (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane is C=C1CNCO/C1=C/C=C(\C)C(C)(C)C.
What is the InChIKey of (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane?
The InChIKey is GEPFGHLBXWJIOW-GNXRPPCSSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-8-14-9-15-12(10)7-6-11(2)13(3,4)5/h6-7,14H,1,8-9H2,2-5H3/b11-6+,12-7+.
What are the key properties of (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane?
(6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane has a molecular weight of 207.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-methylidene-6-[(E)-3,4,4-trimethylpent-2-enylidene]-1,3-oxazinane is sourced from PubChem (CID 155067853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).