methyl 4-chloro-3-methylpent-3-enoate

C7H11ClO2 — CID 71318191

IUPACmethyl 4-chloro-3-methylpent-3-enoate
SMILESCOC(=O)CC(C)=C(C)Cl
InChIInChI=1S/C7H11ClO2/c1-5(6(2)8)4-7(9)10-3/h4H2,1-3H3
InChIKeyKCSJLELTGUEUNC-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.08
Rot. Bonds2

About methyl 4-chloro-3-methylpent-3-enoate

methyl 4-chloro-3-methylpent-3-enoate (PubChem CID 71318191) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is methyl 4-chloro-3-methylpent-3-enoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-methylpent-3-enoate
PubChem CID71318191
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Namemethyl 4-chloro-3-methylpent-3-enoate
SMILESCOC(=O)CC(C)=C(C)Cl
InChIInChI=1S/C7H11ClO2/c1-5(6(2)8)4-7(9)10-3/h4H2,1-3H3
InChIKeyKCSJLELTGUEUNC-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-methylpent-3-enoate?
The IUPAC name of methyl 4-chloro-3-methylpent-3-enoate (CID 71318191) is methyl 4-chloro-3-methylpent-3-enoate.
What is the SMILES notation for methyl 4-chloro-3-methylpent-3-enoate?
The canonical SMILES for methyl 4-chloro-3-methylpent-3-enoate is COC(=O)CC(C)=C(C)Cl.
What is the InChIKey of methyl 4-chloro-3-methylpent-3-enoate?
The InChIKey is KCSJLELTGUEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-5(6(2)8)4-7(9)10-3/h4H2,1-3H3.
What are the key properties of methyl 4-chloro-3-methylpent-3-enoate?
methyl 4-chloro-3-methylpent-3-enoate has a molecular weight of 162.62 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-methylpent-3-enoate is sourced from PubChem (CID 71318191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).