ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate

C8H11BrO3 — CID 53472063

IUPACethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(Br)=C1\CCCO1
InChIInChI=1S/C8H11BrO3/c1-2-11-8(10)7(9)6-4-3-5-12-6/h2-5H2,1H3/b7-6-
InChIKeyNMXGBBLRCHDHIC-SREVYHEPSA-N
MW235.08 g/mol
LogP1.97
Rot. Bonds2

About ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate

ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate (PubChem CID 53472063) has the molecular formula C8H11BrO3 and a molecular weight of 235.08 g/mol. Its IUPAC name is ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
PubChem CID53472063
Molecular FormulaC8H11BrO3
Molecular Weight235.08 g/mol
Exact Mass233.99
IUPAC Nameethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
SMILESCCOC(=O)/C(Br)=C1\CCCO1
InChIInChI=1S/C8H11BrO3/c1-2-11-8(10)7(9)6-4-3-5-12-6/h2-5H2,1H3/b7-6-
InChIKeyNMXGBBLRCHDHIC-SREVYHEPSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.97
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

propan-2-yl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate
CID 11514317
ethyl (2E)-2-(3,3-dibromooxolan-2-ylidene)propanoate
CID 11515402
propan-2-yl (2E)-2-(3-bromooxolan-2-ylidene)acetate
CID 11543319
propan-2-yl (2E)-2-bromo-2-(3-bromooxolan-2-ylidene)acetate
CID 11544425
ethyl (2E)-2-(3-bromooxolan-2-ylidene)propanoate
CID 11593988
ethyl (2Z)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11667298
ethyl (2E)-2-(3-bromooxolan-2-ylidene)butanoate
CID 11673365
Methyl Z-bromo-(dihydrofuran-2-ylidene)acetate
CID 53472062
methyl (2E)-2-(3-bromo-3-methyloxolan-2-ylidene)acetate
CID 101398461
methyl (2Z)-2-bromo-2-(3-bromo-3-methyloxolan-2-ylidene)acetate
CID 134854550
ethyl (2E)-2-bromo-2-(3-bromo-3-ethyloxolan-2-ylidene)acetate
CID 11624296
ethyl 2-bromo-2-[(3R,5R)-3-bromo-5-methyloxolan-2-ylidene]acetate
CID 91266710

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate (CID 53472063) is ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate is CCOC(=O)/C(Br)=C1\CCCO1.
What is the InChIKey of ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
The InChIKey is NMXGBBLRCHDHIC-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11BrO3/c1-2-11-8(10)7(9)6-4-3-5-12-6/h2-5H2,1H3/b7-6-.
What are the key properties of ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate?
ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate has a molecular weight of 235.08 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-bromo-2-(oxolan-2-ylidene)acetate is sourced from PubChem (CID 53472063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).