chloromethyl 2-methylpent-2-enoate

C7H11ClO2 — CID 174869785

IUPACchloromethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCl
InChIInChI=1S/C7H11ClO2/c1-3-4-6(2)7(9)10-5-8/h4H,3,5H2,1-2H3
InChIKeyRVIRVSFSQYRHRH-UHFFFAOYSA-N
MW162.62 g/mol
LogP2.08
Rot. Bonds3

About chloromethyl 2-methylpent-2-enoate

chloromethyl 2-methylpent-2-enoate (PubChem CID 174869785) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is chloromethyl 2-methylpent-2-enoate.

Molecular Properties

Compound Namechloromethyl 2-methylpent-2-enoate
PubChem CID174869785
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Namechloromethyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OCCl
InChIInChI=1S/C7H11ClO2/c1-3-4-6(2)7(9)10-5-8/h4H,3,5H2,1-2H3
InChIKeyRVIRVSFSQYRHRH-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-2-methylpent-2-enoate
CID 6436311
hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
chloromethyl 5-(dimethylamino)-2-methylpent-2-enoate;hydrochloride
CID 175387120
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578
(carbamoylamino) 2-methylpent-2-enoate
CID 173054896
oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
(4-methyl-3-oxopent-4-enyl) 2-methylpent-2-enoate
CID 91164062
trimethyl-[(E)-2-methylpent-2-enoyl]oxyazanium
CID 87439670
hydrazinecarbonyl 2-methylpent-2-enoate
CID 173089378
2-methylpent-2-enamide
CID 66895957

Frequently Asked Questions

What is the IUPAC name of chloromethyl 2-methylpent-2-enoate?
The IUPAC name of chloromethyl 2-methylpent-2-enoate (CID 174869785) is chloromethyl 2-methylpent-2-enoate.
What is the SMILES notation for chloromethyl 2-methylpent-2-enoate?
The canonical SMILES for chloromethyl 2-methylpent-2-enoate is CCC=C(C)C(=O)OCCl.
What is the InChIKey of chloromethyl 2-methylpent-2-enoate?
The InChIKey is RVIRVSFSQYRHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-3-4-6(2)7(9)10-5-8/h4H,3,5H2,1-2H3.
What are the key properties of chloromethyl 2-methylpent-2-enoate?
chloromethyl 2-methylpent-2-enoate has a molecular weight of 162.62 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-methylpent-2-enoate is sourced from PubChem (CID 174869785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).