(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one

C20H16O2 — CID 134977643

IUPAC(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one
SMILESO=C1CC/C(=C\C=C=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H16O2/c21-20-15-14-18(22-20)12-7-13-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12H,14-15H2/b18-12+
InChIKeyRCLIOSKVOSQLHZ-LDADJPATSA-N
MW288.35 g/mol
LogP4.49
Rot. Bonds3

About (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one

(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one (PubChem CID 134977643) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one.

Molecular Properties

Compound Name(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one
PubChem CID134977643
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one
SMILESO=C1CC/C(=C\C=C=C(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C20H16O2/c21-20-15-14-18(22-20)12-7-13-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12H,14-15H2/b18-12+
InChIKeyRCLIOSKVOSQLHZ-LDADJPATSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydrylideneoxolan-2-one
CID 10705808
benzoyl benzoate;oxane-2,6-dione;oxolane-2,5-dione
CID 162105428
6-[(2-hydroxyphenyl)methylidene]oxan-2-one
CID 91096607
(6Z)-6-benzylideneoxan-2-one
CID 101488172
but-2-enedioic acid;oxolane-2,5-dione
CID 160630986
(2E)-2-(5-oxooxolan-2-ylidene)ethanethioic S-acid
CID 146597916
CID 101079672
CID 101079672
1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride
CID 175335155
4-benzoylmorpholine-2,6-dione
CID 53273549
(1-phenyl-2-sulfinylethenyl)benzene
CID 134893268
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
5,5-diphenylpenta-2,3,4-trienoic acid
CID 88605109

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one?
The IUPAC name of (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one (CID 134977643) is (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one.
What is the SMILES notation for (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one?
The canonical SMILES for (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one is O=C1CC/C(=C\C=C=C(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one?
The InChIKey is RCLIOSKVOSQLHZ-LDADJPATSA-N. The full InChI is InChI=1S/C20H16O2/c21-20-15-14-18(22-20)12-7-13-19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12H,14-15H2/b18-12+.
What are the key properties of (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one?
(5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one has a molecular weight of 288.35 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(4,4-diphenylbuta-2,3-dienylidene)oxolan-2-one is sourced from PubChem (CID 134977643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).