(5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione

C8H10O3 — CID 11819240

IUPAC(5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione
SMILESC=CCC1C(=O)O[C@@H](C)C1=O
InChIInChI=1S/C8H10O3/c1-3-4-6-7(9)5(2)11-8(6)10/h3,5-6H,1,4H2,2H3/t5-,6?/m0/s1
InChIKeyYMSCTBNHXWAQEG-ZBHICJROSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds2

About (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione

(5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione (PubChem CID 11819240) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione
PubChem CID11819240
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione
SMILESC=CCC1C(=O)O[C@@H](C)C1=O
InChIInChI=1S/C8H10O3/c1-3-4-6-7(9)5(2)11-8(6)10/h3,5-6H,1,4H2,2H3/t5-,6?/m0/s1
InChIKeyYMSCTBNHXWAQEG-ZBHICJROSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione (CID 11819240) is (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione is C=CCC1C(=O)O[C@@H](C)C1=O.
What is the InChIKey of (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
The InChIKey is YMSCTBNHXWAQEG-ZBHICJROSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-4-6-7(9)5(2)11-8(6)10/h3,5-6H,1,4H2,2H3/t5-,6?/m0/s1.
What are the key properties of (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
(5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione has a molecular weight of 154.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione is sourced from PubChem (CID 11819240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).