(5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one

C23H22O2 — CID 144983848

IUPAC(5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one
SMILESC/C=c1/c(/C=C\CCc2cccc3ccccc23)cc(=O)o/c1=C/C
InChIInChI=1S/C23H22O2/c1-3-20-19(16-23(24)25-22(20)4-2)12-6-5-10-17-13-9-14-18-11-7-8-15-21(17)18/h3-4,6-9,11-16H,5,10H2,1-2H3/b12-6-,20-3-,22-4+
InChIKeyRBCQJSYAJCBINL-FTQJXYAJSA-N
MW330.43 g/mol
LogP4.04
Rot. Bonds4

About (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one

(5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one (PubChem CID 144983848) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one.

Molecular Properties

Compound Name(5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one
PubChem CID144983848
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one
SMILESC/C=c1/c(/C=C\CCc2cccc3ccccc23)cc(=O)o/c1=C/C
InChIInChI=1S/C23H22O2/c1-3-20-19(16-23(24)25-22(20)4-2)12-6-5-10-17-13-9-14-18-11-7-8-15-21(17)18/h3-4,6-9,11-16H,5,10H2,1-2H3/b12-6-,20-3-,22-4+
InChIKeyRBCQJSYAJCBINL-FTQJXYAJSA-N
XLogP4.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one?
The IUPAC name of (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one (CID 144983848) is (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one.
What is the SMILES notation for (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one?
The canonical SMILES for (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one is C/C=c1/c(/C=C\CCc2cccc3ccccc23)cc(=O)o/c1=C/C.
What is the InChIKey of (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one?
The InChIKey is RBCQJSYAJCBINL-FTQJXYAJSA-N. The full InChI is InChI=1S/C23H22O2/c1-3-20-19(16-23(24)25-22(20)4-2)12-6-5-10-17-13-9-14-18-11-7-8-15-21(17)18/h3-4,6-9,11-16H,5,10H2,1-2H3/b12-6-,20-3-,22-4+.
What are the key properties of (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one?
(5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one has a molecular weight of 330.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5,6-di(ethylidene)-4-[(Z)-4-naphthalen-1-ylbut-1-enyl]pyran-2-one is sourced from PubChem (CID 144983848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).