methyl 5-bromohex-4-enoate

C7H11BrO2 — CID 85272039

IUPACmethyl 5-bromohex-4-enoate
SMILESCOC(=O)CCC=C(C)Br
InChIInChI=1S/C7H11BrO2/c1-6(8)4-3-5-7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyMRKBOMGZYGBCTM-UHFFFAOYSA-N
MW207.07 g/mol
LogP2.24
Rot. Bonds3

About methyl 5-bromohex-4-enoate

methyl 5-bromohex-4-enoate (PubChem CID 85272039) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is methyl 5-bromohex-4-enoate.

Molecular Properties

Compound Namemethyl 5-bromohex-4-enoate
PubChem CID85272039
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Namemethyl 5-bromohex-4-enoate
SMILESCOC(=O)CCC=C(C)Br
InChIInChI=1S/C7H11BrO2/c1-6(8)4-3-5-7(9)10-2/h4H,3,5H2,1-2H3
InChIKeyMRKBOMGZYGBCTM-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-methylhex-4-enoate
CID 10909672
methyl (E)-5-chlorohex-4-enoate
CID 88721465
propyl 5-bromohex-4-enoate
CID 174789322
dimethyl (E)-oct-4-enedioate
CID 15585051
methyl (4E,8E)-10-hydroxy-4,8-dimethyldeca-4,8-dienoate
CID 11680207
methyl 13-methyltetradec-12-enoate
CID 24973726
methyl (Z)-oct-4-enoate
CID 5352774
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
CID 162814763
methyl (4Z,6E)-7-chloroocta-4,6-dienoate
CID 131856006
methyl (E)-6-hydroxy-4-methylhex-4-enoate
CID 5362872
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
dimethyl (E)-2-methyl-8-oxoundec-2-enedioate
CID 102516391

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromohex-4-enoate?
The IUPAC name of methyl 5-bromohex-4-enoate (CID 85272039) is methyl 5-bromohex-4-enoate.
What is the SMILES notation for methyl 5-bromohex-4-enoate?
The canonical SMILES for methyl 5-bromohex-4-enoate is COC(=O)CCC=C(C)Br.
What is the InChIKey of methyl 5-bromohex-4-enoate?
The InChIKey is MRKBOMGZYGBCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO2/c1-6(8)4-3-5-7(9)10-2/h4H,3,5H2,1-2H3.
What are the key properties of methyl 5-bromohex-4-enoate?
methyl 5-bromohex-4-enoate has a molecular weight of 207.07 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromohex-4-enoate is sourced from PubChem (CID 85272039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).