ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate

C10H16O3 — CID 11593550

IUPACethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/OCCC1CC
InChIInChI=1S/C10H16O3/c1-3-8-5-6-13-9(8)7-10(11)12-4-2/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyJVKQDLUALRJZAO-VQHVLOKHSA-N
MW184.23 g/mol
LogP1.88
Rot. Bonds3

About ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate

ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate (PubChem CID 11593550) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate
PubChem CID11593550
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/OCCC1CC
InChIInChI=1S/C10H16O3/c1-3-8-5-6-13-9(8)7-10(11)12-4-2/h7-8H,3-6H2,1-2H3/b9-7+
InChIKeyJVKQDLUALRJZAO-VQHVLOKHSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.88
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

Lavandulyl Senecioate
CID 11264867
2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-
CID 6435040
5-Methyl-2-(prop-1-EN-2-YL)hex-4-EN-1-YL 3-methylbut-2-enoate
CID 15512841
2,6-Octadienoic acid, 3,7-dimethyl-, 2(or 3)-methylbutyl ester
CID 6437450
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
tert-butyl (2E)-2-(oxolan-2-ylidene)acetate
CID 13430113
3-[(3E)-4,8-dimethylnona-3,7-dienyl]-2H-furan-5-one
CID 90474105
ethyl (2E)-2-(3-propyloxolan-2-ylidene)acetate
CID 102183917
tert-butyl (E)-3-methoxyhept-2-enoate
CID 102364634

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate (CID 11593550) is ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate is CCOC(=O)/C=C1/OCCC1CC.
What is the InChIKey of ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate?
The InChIKey is JVKQDLUALRJZAO-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8-5-6-13-9(8)7-10(11)12-4-2/h7-8H,3-6H2,1-2H3/b9-7+.
What are the key properties of ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate?
ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate has a molecular weight of 184.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-ethyloxolan-2-ylidene)acetate is sourced from PubChem (CID 11593550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).