(4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one

C10H10O2 — CID 143290011

IUPAC(4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one
SMILESC=C/C=C1/OCC(=O)/C1=C/C=C
InChIInChI=1S/C10H10O2/c1-3-5-8-9(11)7-12-10(8)6-4-2/h3-6H,1-2,7H2/b8-5-,10-6+
InChIKeyPHOKQRQMXGYCOG-YBMVAOSUSA-N
MW162.19 g/mol
LogP1.77
Rot. Bonds2

About (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one

(4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one (PubChem CID 143290011) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one.

Molecular Properties

Compound Name(4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one
PubChem CID143290011
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one
SMILESC=C/C=C1/OCC(=O)/C1=C/C=C
InChIInChI=1S/C10H10O2/c1-3-5-8-9(11)7-12-10(8)6-4-2/h3-6H,1-2,7H2/b8-5-,10-6+
InChIKeyPHOKQRQMXGYCOG-YBMVAOSUSA-N
XLogP1.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one?
The IUPAC name of (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one (CID 143290011) is (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one.
What is the SMILES notation for (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one?
The canonical SMILES for (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one is C=C/C=C1/OCC(=O)/C1=C/C=C.
What is the InChIKey of (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one?
The InChIKey is PHOKQRQMXGYCOG-YBMVAOSUSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-5-8-9(11)7-12-10(8)6-4-2/h3-6H,1-2,7H2/b8-5-,10-6+.
What are the key properties of (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one?
(4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one has a molecular weight of 162.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-bis(prop-2-enylidene)oxolan-3-one is sourced from PubChem (CID 143290011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).