ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one

C12H16O2 — CID 142874632

IUPACethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)cc/c1=C/C.CC
InChIInChI=1S/C10H10O2.C2H6/c1-3-5-9-8(4-2)6-7-10(11)12-9;1-2/h3-7H,1H2,2H3;1-2H3/b8-4-,9-5+;
InChIKeyRLPIEENFOZCVLE-UZKJHERWSA-N
MW192.26 g/mol
LogP1.43
Rot. Bonds1

About ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one

ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one (PubChem CID 142874632) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one
PubChem CID142874632
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)cc/c1=C/C.CC
InChIInChI=1S/C10H10O2.C2H6/c1-3-5-9-8(4-2)6-7-10(11)12-9;1-2/h3-7H,1H2,2H3;1-2H3/b8-4-,9-5+;
InChIKeyRLPIEENFOZCVLE-UZKJHERWSA-N
XLogP1.43
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylidene-6-prop-2-enylidenepyran-2-one
CID 123763777
ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one
CID 143080732
(5Z,6E)-5-[(Z)-but-2-enylidene]-3-methyl-6-prop-2-enylidenepyran-2-one
CID 144546510
CID 162444121
CID 162444121
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 142403527
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1H-pyridin-4-one
CID 142823520
(2E,3Z)-2-ethylidene-3-prop-2-enylidenefuran;2-methylpropane
CID 145032587
ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
CID 144636114
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidenepyran-2-one;(Z,2Z)-N-methyl-2-(3-methylbutan-2-ylidene)hex-3-en-1-amine
CID 144545956
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
CID 143243807
(3Z,4Z)-4-ethylidene-3-prop-2-enylidenecyclohexa-1,5-diene-1-carbonitrile
CID 146362499
(5Z,6E)-6-(2-aminopropylidene)-5-prop-2-enylidenepyridin-2-one
CID 87310154

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one (CID 142874632) is ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one is C=C/C=c1/oc(=O)cc/c1=C/C.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
The InChIKey is RLPIEENFOZCVLE-UZKJHERWSA-N. The full InChI is InChI=1S/C10H10O2.C2H6/c1-3-5-9-8(4-2)6-7-10(11)12-9;1-2/h3-7H,1H2,2H3;1-2H3/b8-4-,9-5+;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one?
ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyran-2-one is sourced from PubChem (CID 142874632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).