(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid

C10H16O3 — CID 102174448

IUPAC(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
SMILESC=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)O)O1
InChIInChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m0/s1
InChIKeySEGYPOKUPWNPPY-NRPADANISA-N
MW184.23 g/mol
LogP1.83
Rot. Bonds3

About (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid

(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid (PubChem CID 102174448) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
PubChem CID102174448
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
SMILESC=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)O)O1
InChIInChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m0/s1
InChIKeySEGYPOKUPWNPPY-NRPADANISA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Norodovanone
CID 45112410
[(2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
CID 45783069
2-(5-Ethenyl-5-methyloxolan-2-yl)-3-hydroxypropanoic acid
CID 44566293
(3R)-3-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]butanoic acid
CID 162966177
(2R)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 131221986
(2S)-2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-3-hydroxypropanoic acid
CID 162875437
ethyl (2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propanoate
CID 134828047
(S)-3-((2S,5R)-5-Methyl-5-vinyltetrahydrofuran-2-yl)butan-2-one
CID 529919
Nordavanone
CID 6431481
ethyl (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoate
CID 42642693
(3S)-3-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]butan-2-one
CID 102441803
3-(5-Ethenyl-5-methyloxolan-2-yl)butanoic acid
CID 101414189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid (CID 102174448) is (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid is C=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)O)O1.
What is the InChIKey of (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
The InChIKey is SEGYPOKUPWNPPY-NRPADANISA-N. The full InChI is InChI=1S/C10H16O3/c1-4-10(3)6-5-8(13-10)7(2)9(11)12/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-,10-/m0/s1.
What are the key properties of (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid?
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid has a molecular weight of 184.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid is sourced from PubChem (CID 102174448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).