(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane

C21H37NO3 — CID 143243907

IUPAC(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane
SMILESC/C=C1/NCCO/C1=C/C.C=C/C=C1/OCCO/C1=C/C.CC.CC
InChIInChI=1S/C9H12O2.C8H13NO.2C2H6/c1-3-5-9-8(4-2)10-6-7-11-9;1-3-7-8(4-2)10-6-5-9-7;2*1-2/h3-5H,1,6-7H2,2H3;3-4,9H,5-6H2,1-2H3;2*1-2H3/b8-4+,9-5+;7-3+,8-4+;;
InChIKeyIPIMKOFRTZAKNI-IQVQGISTSA-N
MW351.53 g/mol
LogP5.47
Rot. Bonds1

About (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane

(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane (PubChem CID 143243907) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane.

Molecular Properties

Compound Name(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane
PubChem CID143243907
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Name(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane
SMILESC/C=C1/NCCO/C1=C/C.C=C/C=C1/OCCO/C1=C/C.CC.CC
InChIInChI=1S/C9H12O2.C8H13NO.2C2H6/c1-3-5-9-8(4-2)10-6-7-11-9;1-3-7-8(4-2)10-6-5-9-7;2*1-2/h3-5H,1,6-7H2,2H3;3-4,9H,5-6H2,1-2H3;2*1-2H3/b8-4+,9-5+;7-3+,8-4+;;
InChIKeyIPIMKOFRTZAKNI-IQVQGISTSA-N
XLogP5.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine
CID 142054832
4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 142156440
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenemorpholine
CID 142996544
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane
CID 143195759
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine
CID 143542471
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine
CID 143998300
(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide
CID 144958449
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane
CID 145448926
ethane;(3E)-2-ethylidene-3-prop-2-enylidenemorpholine;yttrium
CID 162730811
(2E,3E)-2-ethylidene-3-(2-methoxyethylidene)morpholine
CID 166958887
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine
CID 143195760

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane?
The IUPAC name of (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane (CID 143243907) is (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane.
What is the SMILES notation for (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane?
The canonical SMILES for (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane is C/C=C1/NCCO/C1=C/C.C=C/C=C1/OCCO/C1=C/C.CC.CC.
What is the InChIKey of (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane?
The InChIKey is IPIMKOFRTZAKNI-IQVQGISTSA-N. The full InChI is InChI=1S/C9H12O2.C8H13NO.2C2H6/c1-3-5-9-8(4-2)10-6-7-11-9;1-3-7-8(4-2)10-6-5-9-7;2*1-2/h3-5H,1,6-7H2,2H3;3-4,9H,5-6H2,1-2H3;2*1-2H3/b8-4+,9-5+;7-3+,8-4+;;.
What are the key properties of (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane?
(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane has a molecular weight of 351.53 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane is sourced from PubChem (CID 143243907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).