propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate

C11H18O3 — CID 10867290

IUPACpropan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate
SMILESC/C(C(=O)OC(C)C)=C1/CCC(C)O1
InChIInChI=1S/C11H18O3/c1-7(2)13-11(12)9(4)10-6-5-8(3)14-10/h7-8H,5-6H2,1-4H3/b10-9+
InChIKeyIIDLZNJNLUVGNN-MDZDMXLPSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds2

About propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate

propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate (PubChem CID 10867290) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate.

Molecular Properties

Compound Namepropan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate
PubChem CID10867290
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namepropan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate
SMILESC/C(C(=O)OC(C)C)=C1/CCC(C)O1
InChIInChI=1S/C11H18O3/c1-7(2)13-11(12)9(4)10-6-5-8(3)14-10/h7-8H,5-6H2,1-4H3/b10-9+
InChIKeyIIDLZNJNLUVGNN-MDZDMXLPSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dihydrobovolide, (+-)-
CID 13192443
methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
ethyl (2E)-2-(oxolan-2-ylidene)butanoate
CID 11344407
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
CID 134894315
5-Ethyl-3,4-dimethylfuran-2(5H)-one
CID 12680873
2-butyl-3,4-dimethyl-2H-furan-5-one
CID 67873447
Dihydrobovolide, (R)-
CID 11788657
Dihydrobovolide, (S)-
CID 12050368
Ethyl 2-ethoxycyclopent-1-ene-1-carboxylate
CID 12448915
InChI=1/C9H14O3/c1-3-12-9(10)7-5-4-6-8(7)11-2/h3-6H2,1-2H
CID 13205386

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate?
The IUPAC name of propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate (CID 10867290) is propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate.
What is the SMILES notation for propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate?
The canonical SMILES for propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate is C/C(C(=O)OC(C)C)=C1/CCC(C)O1.
What is the InChIKey of propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate?
The InChIKey is IIDLZNJNLUVGNN-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)13-11(12)9(4)10-6-5-8(3)14-10/h7-8H,5-6H2,1-4H3/b10-9+.
What are the key properties of propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate?
propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate has a molecular weight of 198.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2E)-2-(5-methyloxolan-2-ylidene)propanoate is sourced from PubChem (CID 10867290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).