(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one

C18H18O4 — CID 6380723

IUPAC(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
SMILESC/C(=C1\CCOC1=O)c1cccc(/C(C)=C2\CCOC2=O)c1
InChIInChI=1S/C18H18O4/c1-11(15-6-8-21-17(15)19)13-4-3-5-14(10-13)12(2)16-7-9-22-18(16)20/h3-5,10H,6-9H2,1-2H3/b15-11-,16-12+
InChIKeyGHVARPLQANNOQF-UKVBVZPVSA-N
MW298.34 g/mol
LogP3.13
Rot. Bonds2

About (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one

(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one (PubChem CID 6380723) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
PubChem CID6380723
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
SMILESC/C(=C1\CCOC1=O)c1cccc(/C(C)=C2\CCOC2=O)c1
InChIInChI=1S/C18H18O4/c1-11(15-6-8-21-17(15)19)13-4-3-5-14(10-13)12(2)16-7-9-22-18(16)20/h3-5,10H,6-9H2,1-2H3/b15-11-,16-12+
InChIKeyGHVARPLQANNOQF-UKVBVZPVSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one?
The IUPAC name of (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one (CID 6380723) is (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one?
The canonical SMILES for (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one is C/C(=C1\CCOC1=O)c1cccc(/C(C)=C2\CCOC2=O)c1.
What is the InChIKey of (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one?
The InChIKey is GHVARPLQANNOQF-UKVBVZPVSA-N. The full InChI is InChI=1S/C18H18O4/c1-11(15-6-8-21-17(15)19)13-4-3-5-14(10-13)12(2)16-7-9-22-18(16)20/h3-5,10H,6-9H2,1-2H3/b15-11-,16-12+.
What are the key properties of (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one?
(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one is sourced from PubChem (CID 6380723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).