methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate

C11H18O3 — CID 57481820

IUPACmethyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
SMILESC=CC1(C)CCC(C(C)C(=O)OC)O1
InChIInChI=1S/C11H18O3/c1-5-11(3)7-6-9(14-11)8(2)10(12)13-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOMDQAWALWANGBN-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds3

About methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate

methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate (PubChem CID 57481820) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
PubChem CID57481820
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate
SMILESC=CC1(C)CCC(C(C)C(=O)OC)O1
InChIInChI=1S/C11H18O3/c1-5-11(3)7-6-9(14-11)8(2)10(12)13-4/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOMDQAWALWANGBN-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate 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

Lilac aldehyde
CID 155007
Norodovanone
CID 45112410
Artemone
CID 182020
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
Lilac aldehyde, (2R,2'S,5'S)-
CID 5462398
2-(5-Ethenyl-5-methyloxolan-2-yl)-4,4-dimethylhex-5-en-3-one
CID 12308610
Lilac aldehyde, (2S,2'R,5'S)-
CID 16667664
(2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]propanoic acid
CID 102174448
(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

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate?
The IUPAC name of methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate (CID 57481820) is methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate.
What is the SMILES notation for methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate?
The canonical SMILES for methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate is C=CC1(C)CCC(C(C)C(=O)OC)O1.
What is the InChIKey of methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate?
The InChIKey is OMDQAWALWANGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-11(3)7-6-9(14-11)8(2)10(12)13-4/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate?
methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate is sourced from PubChem (CID 57481820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).