(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one

C13H16O4 — CID 92527198

IUPAC(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one
SMILESC=C1C[C@@H](CCC[C@H]2CC(=C)C(=O)O2)OC1=O
InChIInChI=1S/C13H16O4/c1-8-6-10(16-12(8)14)4-3-5-11-7-9(2)13(15)17-11/h10-11H,1-7H2/t10-,11+
InChIKeyLCVMTTYXOXAZFL-PHIMTYICSA-N
MW236.27 g/mol
LogP1.90
Rot. Bonds4

About (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one

(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one (PubChem CID 92527198) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one
PubChem CID92527198
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one
SMILESC=C1C[C@@H](CCC[C@H]2CC(=C)C(=O)O2)OC1=O
InChIInChI=1S/C13H16O4/c1-8-6-10(16-12(8)14)4-3-5-11-7-9(2)13(15)17-11/h10-11H,1-7H2/t10-,11+
InChIKeyLCVMTTYXOXAZFL-PHIMTYICSA-N
XLogP1.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one with MolForge

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Related Compounds

3-methylidene-5-pentyloxolan-2-one
CID 10583238
(5S)-3-methylidene-5-octyloxolan-2-one
CID 13466845
(5S)-5-(hydroxymethyl)-3-methylideneoxolan-2-one
CID 5325916
methyl 11-(4-methylidene-5-oxooxolan-2-yl)undecanoate
CID 11150628
5-(3-benzylsulfanylpropyl)-3-methylideneoxolan-2-one
CID 19378154
3-methylidene-5-(methylsulfanylmethyl)oxolan-2-one
CID 19378131
3-methylidene-5-[9-[4-(4-methylidene-5-oxooxolan-2-yl)phenoxy]nonyl]oxolan-2-one
CID 58085322
5-(2-benzylsulfanylethyl)-3-methylideneoxolan-2-one
CID 19378098
4-[4-[4-(4-methylidene-5-oxooxolan-2-yl)butoxy]phenyl]benzonitrile
CID 58085304
4-[4-[7-(4-methylidene-5-oxooxolan-2-yl)heptoxy]phenyl]benzonitrile
CID 58085334
3-methylidene-5-[[4-[4-[(4-methylidene-5-oxooxolan-2-yl)methyl]benzoyl]phenyl]methyl]oxolan-2-one
CID 121308991
5-[(E)-2,4-dimethylpent-2-enyl]-3-methylideneoxolan-2-one
CID 145077120

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one?
The IUPAC name of (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one (CID 92527198) is (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one.
What is the SMILES notation for (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one?
The canonical SMILES for (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one is C=C1C[C@@H](CCC[C@H]2CC(=C)C(=O)O2)OC1=O.
What is the InChIKey of (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one?
The InChIKey is LCVMTTYXOXAZFL-PHIMTYICSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-6-10(16-12(8)14)4-3-5-11-7-9(2)13(15)17-11/h10-11H,1-7H2/t10-,11+.
What are the key properties of (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one?
(5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methylidene-5-[3-[(2R)-4-methylidene-5-oxooxolan-2-yl]propyl]oxolan-2-one is sourced from PubChem (CID 92527198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).