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

C12H18O2 — CID 143243807

IUPACethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
SMILESC=C/C=C1/CCC(=O)O/C1=C/C.CC
InChIInChI=1S/C10H12O2.C2H6/c1-3-5-8-6-7-10(11)12-9(8)4-2;1-2/h3-5H,1,6-7H2,2H3;1-2H3/b8-5-,9-4+;
InChIKeyDQTIHBNDBSKEMA-HHHUAFAMSA-N
MW194.27 g/mol
LogP3.37
Rot. Bonds1

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

ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one (PubChem CID 143243807) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one.

Molecular Properties

Compound Nameethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
PubChem CID143243807
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one
SMILESC=C/C=C1/CCC(=O)O/C1=C/C.CC
InChIInChI=1S/C10H12O2.C2H6/c1-3-5-8-6-7-10(11)12-9(8)4-2;1-2/h3-5H,1,6-7H2,2H3;1-2H3/b8-5-,9-4+;
InChIKeyDQTIHBNDBSKEMA-HHHUAFAMSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one?
The IUPAC name of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one (CID 143243807) is ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one.
What is the SMILES notation for ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one?
The canonical SMILES for ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one is C=C/C=C1/CCC(=O)O/C1=C/C.CC.
What is the InChIKey of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one?
The InChIKey is DQTIHBNDBSKEMA-HHHUAFAMSA-N. The full InChI is InChI=1S/C10H12O2.C2H6/c1-3-5-8-6-7-10(11)12-9(8)4-2;1-2/h3-5H,1,6-7H2,2H3;1-2H3/b8-5-,9-4+;.
What are the key properties of ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one?
ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one has a molecular weight of 194.27 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-6-ethylidene-5-prop-2-enylideneoxan-2-one is sourced from PubChem (CID 143243807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).