(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one

C9H10O2 — CID 134977768

IUPAC(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one
SMILESC=C=C/C=C1\CC(C)C(=O)O1
InChIInChI=1S/C9H10O2/c1-3-4-5-8-6-7(2)9(10)11-8/h4-5,7H,1,6H2,2H3/b8-5+
InChIKeyFOWDGIHEFWSOHE-VMPITWQZSA-N
MW150.18 g/mol
LogP1.79
Rot. Bonds1

About (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one

(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one (PubChem CID 134977768) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one.

Molecular Properties

Compound Name(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one
PubChem CID134977768
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one
SMILESC=C=C/C=C1\CC(C)C(=O)O1
InChIInChI=1S/C9H10O2/c1-3-4-5-8-6-7(2)9(10)11-8/h4-5,7H,1,6H2,2H3/b8-5+
InChIKeyFOWDGIHEFWSOHE-VMPITWQZSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one?
The IUPAC name of (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one (CID 134977768) is (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one.
What is the SMILES notation for (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one?
The canonical SMILES for (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one is C=C=C/C=C1\CC(C)C(=O)O1.
What is the InChIKey of (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one?
The InChIKey is FOWDGIHEFWSOHE-VMPITWQZSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-4-5-8-6-7(2)9(10)11-8/h4-5,7H,1,6H2,2H3/b8-5+.
What are the key properties of (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one?
(5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-buta-2,3-dienylidene-3-methyloxolan-2-one is sourced from PubChem (CID 134977768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).