methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate

C9H14O3 — CID 11171218

IUPACmethyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate
SMILESCCC1CO/C(=C/C(=O)OC)C1
InChIInChI=1S/C9H14O3/c1-3-7-4-8(12-6-7)5-9(10)11-2/h5,7H,3-4,6H2,1-2H3/b8-5+
InChIKeyOFSQFDOWPHTTBC-VMPITWQZSA-N
MW170.21 g/mol
LogP1.49
Rot. Bonds2

About methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate

methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate (PubChem CID 11171218) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate
PubChem CID11171218
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate
SMILESCCC1CO/C(=C/C(=O)OC)C1
InChIInChI=1S/C9H14O3/c1-3-7-4-8(12-6-7)5-9(10)11-2/h5,7H,3-4,6H2,1-2H3/b8-5+
InChIKeyOFSQFDOWPHTTBC-VMPITWQZSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.49
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

methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
Ethyl E-(dihydrofuran-2-ylidene)acetate
CID 11084120
ethyl (2E)-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11587002
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
Methyl E-(dihydrofuran-2-ylidene)acetate
CID 12999931
tert-butyl (2E)-2-(oxolan-2-ylidene)acetate
CID 13430113
ethyl (2E)-2-(3-propyloxolan-2-ylidene)acetate
CID 102183917
tert-butyl (E)-3-methoxyhept-2-enoate
CID 102364634
methyl (2E)-2-(5-prop-1-en-2-yloxolan-2-ylidene)acetate
CID 134894315
ethyl (2E)-2-(3-butyloxolan-2-ylidene)acetate
CID 134970385
ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 10877759
ethyl (2E)-2-[(3S,4S)-4-methoxy-3-prop-2-enyloxolan-2-ylidene]acetate
CID 11413488

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate (CID 11171218) is methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate is CCC1CO/C(=C/C(=O)OC)C1.
What is the InChIKey of methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate?
The InChIKey is OFSQFDOWPHTTBC-VMPITWQZSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-7-4-8(12-6-7)5-9(10)11-2/h5,7H,3-4,6H2,1-2H3/b8-5+.
What are the key properties of methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate?
methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate has a molecular weight of 170.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(4-ethyloxolan-2-ylidene)acetate is sourced from PubChem (CID 11171218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).