ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate

C10H15BrO3 — CID 101170361

IUPACethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CC[C@H]([C@@H](C)Br)O1
InChIInChI=1S/C10H15BrO3/c1-3-13-10(12)6-8-4-5-9(14-8)7(2)11/h6-7,9H,3-5H2,1-2H3/b8-6+/t7-,9-/m1/s1
InChIKeyBAZZXXXTANFMDH-AIORQRFUSA-N
MW263.13 g/mol
LogP2.40
Rot. Bonds3

About ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate

ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate (PubChem CID 101170361) has the molecular formula C10H15BrO3 and a molecular weight of 263.13 g/mol. Its IUPAC name is ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate
PubChem CID101170361
Molecular FormulaC10H15BrO3
Molecular Weight263.13 g/mol
Exact Mass262.02
IUPAC Nameethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate
SMILESCCOC(=O)/C=C1\CC[C@H]([C@@H](C)Br)O1
InChIInChI=1S/C10H15BrO3/c1-3-13-10(12)6-8-4-5-9(14-8)7(2)11/h6-7,9H,3-5H2,1-2H3/b8-6+/t7-,9-/m1/s1
InChIKeyBAZZXXXTANFMDH-AIORQRFUSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-[5-(iodomethyl)oxolan-2-ylidene]acetate
CID 11140993
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
CID 117046633
ethyl (2E)-2-[(5R)-5-(butoxymethyl)oxolan-2-ylidene]acetate
CID 101170358
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
2-bromopropane;diethyl but-2-enedioate
CID 158645585
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
CID 165488646
ethyl (2Z)-2-(5-methylazepan-2-ylidene)acetate
CID 11159920
ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
CID 100915325

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate (CID 101170361) is ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate is CCOC(=O)/C=C1\CC[C@H]([C@@H](C)Br)O1.
What is the InChIKey of ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate?
The InChIKey is BAZZXXXTANFMDH-AIORQRFUSA-N. The full InChI is InChI=1S/C10H15BrO3/c1-3-13-10(12)6-8-4-5-9(14-8)7(2)11/h6-7,9H,3-5H2,1-2H3/b8-6+/t7-,9-/m1/s1.
What are the key properties of ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate?
ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate has a molecular weight of 263.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate is sourced from PubChem (CID 101170361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).