(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one

C11H14Br2O2 — CID 134855627

IUPAC(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one
SMILESCCCC(C)C1=C(Br)/C(=C(\C)Br)OC1=O
InChIInChI=1S/C11H14Br2O2/c1-4-5-6(2)8-9(13)10(7(3)12)15-11(8)14/h6H,4-5H2,1-3H3/b10-7-
InChIKeyXBDPZOUWUSNHLX-YFHOEESVSA-N
MW338.04 g/mol
LogP4.25
Rot. Bonds3

About (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one

(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one (PubChem CID 134855627) has the molecular formula C11H14Br2O2 and a molecular weight of 338.04 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one
PubChem CID134855627
Molecular FormulaC11H14Br2O2
Molecular Weight338.04 g/mol
Exact Mass335.94
IUPAC Name(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one
SMILESCCCC(C)C1=C(Br)/C(=C(\C)Br)OC1=O
InChIInChI=1S/C11H14Br2O2/c1-4-5-6(2)8-9(13)10(7(3)12)15-11(8)14/h6H,4-5H2,1-3H3/b10-7-
InChIKeyXBDPZOUWUSNHLX-YFHOEESVSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-
CID 362385
4-Bromo-5-(Bromomethylene)-3-Butyl-2(5H)-Furanone
CID 9839657
(5Z)-4-bromo-3-(1-bromobutyl)-5-(bromomethylidene)furan-2-one
CID 21024128
Fimbrolide
CID 9796693
CID 54374244
CID 54374244
4-Bromo-5-(dibromomethylidene)-3-propylfuran-2-one
CID 56836363
4-Bromo-3-(1'-bromobutyl)-5-bromomethylene-2(5h)-furanone
CID 73734201
(5Z)-4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
CID 9901947
(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one
CID 59760035
4-Bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
CID 85064075
4-Bromo-3-(1-bromobutyl)-5-(dibromomethylidene)furan-2-one
CID 10205288
(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one
CID 56836362

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one?
The IUPAC name of (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one (CID 134855627) is (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one is CCCC(C)C1=C(Br)/C(=C(\C)Br)OC1=O.
What is the InChIKey of (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one?
The InChIKey is XBDPZOUWUSNHLX-YFHOEESVSA-N. The full InChI is InChI=1S/C11H14Br2O2/c1-4-5-6(2)8-9(13)10(7(3)12)15-11(8)14/h6H,4-5H2,1-3H3/b10-7-.
What are the key properties of (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one?
(5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one has a molecular weight of 338.04 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(1-bromoethylidene)-3-pentan-2-ylfuran-2-one is sourced from PubChem (CID 134855627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).