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

C8H10O3 — CID 10351885

IUPAC(3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione
SMILESC=CC[C@H]1C(=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-NTSWFWBYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds2

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

(3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione (PubChem CID 10351885) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione.

Molecular Properties

Compound Name(3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione
PubChem CID10351885
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione
SMILESC=CC[C@H]1C(=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-NTSWFWBYSA-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 (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
The IUPAC name of (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione (CID 10351885) is (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione.
What is the SMILES notation for (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
The canonical SMILES for (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione is C=CC[C@H]1C(=O)O[C@@H](C)C1=O.
What is the InChIKey of (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
The InChIKey is YMSCTBNHXWAQEG-NTSWFWBYSA-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 (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione?
(3R,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 (3R,5S)-5-methyl-3-prop-2-enyloxolane-2,4-dione is sourced from PubChem (CID 10351885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).