(3Z)-3-(oxolan-2-ylidene)oxolan-2-one

C8H10O3 — CID 5383499

IUPAC(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
SMILESO=C1OCC/C1=C1\CCCO1
InChIInChI=1S/C8H10O3/c9-8-6(3-5-11-8)7-2-1-4-10-7/h1-5H2/b7-6-
InChIKeyMWJVQZAHRZBCMH-SREVYHEPSA-N
MW154.16 g/mol
LogP1.00
Rot. Bonds

About (3Z)-3-(oxolan-2-ylidene)oxolan-2-one

(3Z)-3-(oxolan-2-ylidene)oxolan-2-one (PubChem CID 5383499) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3Z)-3-(oxolan-2-ylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
PubChem CID5383499
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3Z)-3-(oxolan-2-ylidene)oxolan-2-one
SMILESO=C1OCC/C1=C1\CCCO1
InChIInChI=1S/C8H10O3/c9-8-6(3-5-11-8)7-2-1-4-10-7/h1-5H2/b7-6-
InChIKeyMWJVQZAHRZBCMH-SREVYHEPSA-N
XLogP1.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(oxolan-2-ylidene)oxolan-2-one?
The IUPAC name of (3Z)-3-(oxolan-2-ylidene)oxolan-2-one (CID 5383499) is (3Z)-3-(oxolan-2-ylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-3-(oxolan-2-ylidene)oxolan-2-one?
The canonical SMILES for (3Z)-3-(oxolan-2-ylidene)oxolan-2-one is O=C1OCC/C1=C1\CCCO1.
What is the InChIKey of (3Z)-3-(oxolan-2-ylidene)oxolan-2-one?
The InChIKey is MWJVQZAHRZBCMH-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10O3/c9-8-6(3-5-11-8)7-2-1-4-10-7/h1-5H2/b7-6-.
What are the key properties of (3Z)-3-(oxolan-2-ylidene)oxolan-2-one?
(3Z)-3-(oxolan-2-ylidene)oxolan-2-one has a molecular weight of 154.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(oxolan-2-ylidene)oxolan-2-one is sourced from PubChem (CID 5383499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).