methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate

C10H14O3 — CID 134894315

IUPACmethyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
SMILESC=C(C)C1CC/C(=C\C(=O)OC)O1
InChIInChI=1S/C10H14O3/c1-7(2)9-5-4-8(13-9)6-10(11)12-3/h6,9H,1,4-5H2,2-3H3/b8-6+
InChIKeyQIYHYFOPOAXCKT-SOFGYWHQSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds2

About methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate

methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate (PubChem CID 134894315) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
PubChem CID134894315
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
SMILESC=C(C)C1CC/C(=C\C(=O)OC)O1
InChIInChI=1S/C10H14O3/c1-7(2)9-5-4-8(13-9)6-10(11)12-3/h6,9H,1,4-5H2,2-3H3/b8-6+
InChIKeyQIYHYFOPOAXCKT-SOFGYWHQSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate (CID 134894315) is methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate is C=C(C)C1CC/C(=C\C(=O)OC)O1.
What is the InChIKey of methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate?
The InChIKey is QIYHYFOPOAXCKT-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(2)9-5-4-8(13-9)6-10(11)12-3/h6,9H,1,4-5H2,2-3H3/b8-6+.
What are the key properties of methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate?
methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate has a molecular weight of 182.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate is sourced from PubChem (CID 134894315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).