methyl 4-chloropent-4-enoate

C6H9ClO2 — CID 12583069

IUPACmethyl 4-chloropent-4-enoate
SMILESC=C(Cl)CCC(=O)OC
InChIInChI=1S/C6H9ClO2/c1-5(7)3-4-6(8)9-2/h1,3-4H2,2H3
InChIKeyKWFALYIVZVDVGD-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.69
Rot. Bonds3

About methyl 4-chloropent-4-enoate

methyl 4-chloropent-4-enoate (PubChem CID 12583069) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is methyl 4-chloropent-4-enoate.

Molecular Properties

Compound Namemethyl 4-chloropent-4-enoate
PubChem CID12583069
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Namemethyl 4-chloropent-4-enoate
SMILESC=C(Cl)CCC(=O)OC
InChIInChI=1S/C6H9ClO2/c1-5(7)3-4-6(8)9-2/h1,3-4H2,2H3
InChIKeyKWFALYIVZVDVGD-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 4-chloro-2,2-dimethyl-4-pentenoate
CID 522869
4-Pentenoic acid, 3-chloro-, methyl ester
CID 574806
Methyl 3-(chloromethyl)but-3-enoate
CID 55298502
Methyl 4-chloro-2-oxopent-4-enoate
CID 18370131
Methyl 4-chloro-2-ethyl-4-pentenoate
CID 18947556
Ethenyl 4-chloropent-4-enoate
CID 57124907
Ethyl 4-chloro-4-pentenoate
CID 86000258
Propanoyl 5-chlorohex-5-enoate
CID 88057720
Acetyl 4-chloropent-4-enoate
CID 88433149
Methyl 4-chloro-5-oxopent-4-enoate
CID 141184909
Butyl 4-chloropent-4-enoate
CID 154094924
Propan-2-yl 4-chloropent-4-enoate
CID 174915371

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloropent-4-enoate?
The IUPAC name of methyl 4-chloropent-4-enoate (CID 12583069) is methyl 4-chloropent-4-enoate.
What is the SMILES notation for methyl 4-chloropent-4-enoate?
The canonical SMILES for methyl 4-chloropent-4-enoate is C=C(Cl)CCC(=O)OC.
What is the InChIKey of methyl 4-chloropent-4-enoate?
The InChIKey is KWFALYIVZVDVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-5(7)3-4-6(8)9-2/h1,3-4H2,2H3.
What are the key properties of methyl 4-chloropent-4-enoate?
methyl 4-chloropent-4-enoate has a molecular weight of 148.59 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloropent-4-enoate is sourced from PubChem (CID 12583069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).