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

C11H16O4 — CID 10560480

IUPAC(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
SMILESC=CC[C@@]1(COC)OC(=O)C(C)(C)C1=O
InChIInChI=1S/C11H16O4/c1-5-6-11(7-14-4)8(12)10(2,3)9(13)15-11/h5H,1,6-7H2,2-4H3/t11-/m0/s1
InChIKeyJMLLIUSRQBRMMY-NSHDSACASA-N
MW212.24 g/mol
LogP1.10
Rot. Bonds4

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

(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione (PubChem CID 10560480) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
PubChem CID10560480
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
SMILESC=CC[C@@]1(COC)OC(=O)C(C)(C)C1=O
InChIInChI=1S/C11H16O4/c1-5-6-11(7-14-4)8(12)10(2,3)9(13)15-11/h5H,1,6-7H2,2-4H3/t11-/m0/s1
InChIKeyJMLLIUSRQBRMMY-NSHDSACASA-N
XLogP1.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione with MolForge

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Related Compounds

ethyl (2S)-2-[(3S)-4,4-dimethylpent-1-en-3-yl]-3-oxooxolane-2-carboxylate
CID 102032639
ethyl (2S)-2-[(2R)-1-[(2-methylpropan-2-yl)oxy]-1-oxobut-3-en-2-yl]-3-oxooxolane-2-carboxylate
CID 102032644
ethyl (2S)-2-[(2R)-1-methoxy-1-oxobut-3-en-2-yl]-3-oxooxolane-2-carboxylate
CID 102032646
2-Allyl-4-propoxymethyl-2-ethoxycarbonyl-butanolide
CID 129742667
Ethyl 2-oxo-5-[(propan-2-yloxy)methyl]-3-(prop-2-en-1-yl)oxolane-3-carboxylate
CID 129759126
5-Ethyl-3,3-bis(prop-2-enyl)oxolane-2,4-dione
CID 102586945
Ethyl 5-methyl-4-oxo-5-prop-2-enyloxolane-3-carboxylate
CID 53236360
(5S)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
CID 10488173
(5S)-5-(methoxymethyl)-3,3-dimethyl-5-[(E)-prop-1-enyl]oxolane-2,4-dione
CID 10560479
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-oxohept-6-enoate
CID 10777314
(5R)-5-(hydroxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione
CID 10845628
Propan-2-yl 3-oxo-2-prop-2-enyloxolane-2-carboxylate
CID 11031148

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
The IUPAC name of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione (CID 10560480) is (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione.
What is the SMILES notation for (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
The canonical SMILES for (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione is C=CC[C@@]1(COC)OC(=O)C(C)(C)C1=O.
What is the InChIKey of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
The InChIKey is JMLLIUSRQBRMMY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O4/c1-5-6-11(7-14-4)8(12)10(2,3)9(13)15-11/h5H,1,6-7H2,2-4H3/t11-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione?
(5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione has a molecular weight of 212.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-3,3-dimethyl-5-prop-2-enyloxolane-2,4-dione is sourced from PubChem (CID 10560480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).