(4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one

C9H12O3 — CID 59074980

IUPAC(4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one
SMILESCC(=O)/C=C(/C)[C@@H]1COC(=O)C1
InChIInChI=1S/C9H12O3/c1-6(3-7(2)10)8-4-9(11)12-5-8/h3,8H,4-5H2,1-2H3/b6-3-/t8-/m0/s1
InChIKeyULTXWTUQYOUWLP-LBLVLHIFSA-N
MW168.19 g/mol
LogP1.08
Rot. Bonds2

About (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one

(4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one (PubChem CID 59074980) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one
PubChem CID59074980
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one
SMILESCC(=O)/C=C(/C)[C@@H]1COC(=O)C1
InChIInChI=1S/C9H12O3/c1-6(3-7(2)10)8-4-9(11)12-5-8/h3,8H,4-5H2,1-2H3/b6-3-/t8-/m0/s1
InChIKeyULTXWTUQYOUWLP-LBLVLHIFSA-N
XLogP1.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.08
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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Related Compounds

Anthecotulide
CID 11962174
(4S)-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-3-methylideneoxolan-2-one
CID 12050675
4-(3,7-Dimethyl-5-oxoocta-2,6-dienyl)-3-methylideneoxolan-2-one
CID 73154518
Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 11332690
(1E,4S,10Z,13S)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 117990622
(1E,4R,10Z,13R)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467644
Methyl 2-(2-oxocyclopent-3-en-1-yl)acetate
CID 85886740
Anthecotuloide
CID 25762159
(1E,4S,10Z,13R)-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 155810731
Lavandulyl pentanoate
CID 85843346
Ethyl 2-methylcyclopent-2-ene-1-carboxylate
CID 11480557
3,4-Dimethyl-4-acetoxymethylcyclopentenone
CID 13699648

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one?
The IUPAC name of (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one (CID 59074980) is (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one?
The canonical SMILES for (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one is CC(=O)/C=C(/C)[C@@H]1COC(=O)C1.
What is the InChIKey of (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one?
The InChIKey is ULTXWTUQYOUWLP-LBLVLHIFSA-N. The full InChI is InChI=1S/C9H12O3/c1-6(3-7(2)10)8-4-9(11)12-5-8/h3,8H,4-5H2,1-2H3/b6-3-/t8-/m0/s1.
What are the key properties of (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one?
(4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(Z)-4-oxopent-2-en-2-yl]oxolan-2-one is sourced from PubChem (CID 59074980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).