methyl 5-chloro-2-methylpent-4-enoate

C7H11ClO2 — CID 123627681

IUPACmethyl 5-chloro-2-methylpent-4-enoate
SMILESCOC(=O)C(C)CC=CCl
InChIInChI=1S/C7H11ClO2/c1-6(4-3-5-8)7(9)10-2/h3,5-6H,4H2,1-2H3
InChIKeyKGMLLMBECLCEHU-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.94
Rot. Bonds3

About methyl 5-chloro-2-methylpent-4-enoate

methyl 5-chloro-2-methylpent-4-enoate (PubChem CID 123627681) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is methyl 5-chloro-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methylpent-4-enoate
PubChem CID123627681
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Namemethyl 5-chloro-2-methylpent-4-enoate
SMILESCOC(=O)C(C)CC=CCl
InChIInChI=1S/C7H11ClO2/c1-6(4-3-5-8)7(9)10-2/h3,5-6H,4H2,1-2H3
InChIKeyKGMLLMBECLCEHU-UHFFFAOYSA-N
XLogP1.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E,2R)-2-methyl-6-oxohept-4-enoate
CID 125475561
(E)-6-methoxy-5-methyl-6-oxohex-2-enoic acid
CID 14931059
(E)-5-chloro-2-methylpent-4-enoic acid
CID 107900872
8-methoxy-2,7-dimethyl-8-oxoocta-2,4-dienoic acid
CID 174694127
prop-2-enyl (2S)-5-chloro-2-propan-2-ylpent-4-enoate
CID 87471374
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
methyl (2R)-4,4,4-trichloro-2-methylbutanoate
CID 6932681
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
zinc methyl (2R)-3-bromo-2-methylpropanoate
CID 175736425
methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methylpent-4-enoate?
The IUPAC name of methyl 5-chloro-2-methylpent-4-enoate (CID 123627681) is methyl 5-chloro-2-methylpent-4-enoate.
What is the SMILES notation for methyl 5-chloro-2-methylpent-4-enoate?
The canonical SMILES for methyl 5-chloro-2-methylpent-4-enoate is COC(=O)C(C)CC=CCl.
What is the InChIKey of methyl 5-chloro-2-methylpent-4-enoate?
The InChIKey is KGMLLMBECLCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-6(4-3-5-8)7(9)10-2/h3,5-6H,4H2,1-2H3.
What are the key properties of methyl 5-chloro-2-methylpent-4-enoate?
methyl 5-chloro-2-methylpent-4-enoate has a molecular weight of 162.62 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methylpent-4-enoate is sourced from PubChem (CID 123627681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).