methyl 2-chloro-2-cyclopropylacetate

C6H9ClO2 — CID 15659586

IUPACmethyl 2-chloro-2-cyclopropylacetate
SMILESCOC(=O)C(Cl)C1CC1
InChIInChI=1S/C6H9ClO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyHHJQXFNQWRDALU-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.18
Rot. Bonds2

About methyl 2-chloro-2-cyclopropylacetate

methyl 2-chloro-2-cyclopropylacetate (PubChem CID 15659586) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is methyl 2-chloro-2-cyclopropylacetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-cyclopropylacetate
PubChem CID15659586
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Namemethyl 2-chloro-2-cyclopropylacetate
SMILESCOC(=O)C(Cl)C1CC1
InChIInChI=1S/C6H9ClO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyHHJQXFNQWRDALU-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-tert-butylcyclohexyl)-2-chloroacetate
CID 104575894
methyl (2S)-2-chloro-2-[(3S)-oxolan-3-yl]acetate
CID 94376600
methyl 2-cyclopropyl-3-(methylamino)propanoate
CID 117245476
methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
CID 168869066
dimethyl 2-(4-methylcyclohexyl)propanedioate
CID 103972492
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
methyl (2S)-2-(1-cyclopropylpropylamino)propanoate
CID 64920130
dimethyl 2-cyclohexylpropanedioate
CID 2793740
(2S)-2-chloro-1,2-dicyclopropylethanone
CID 93494101

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-cyclopropylacetate?
The IUPAC name of methyl 2-chloro-2-cyclopropylacetate (CID 15659586) is methyl 2-chloro-2-cyclopropylacetate.
What is the SMILES notation for methyl 2-chloro-2-cyclopropylacetate?
The canonical SMILES for methyl 2-chloro-2-cyclopropylacetate is COC(=O)C(Cl)C1CC1.
What is the InChIKey of methyl 2-chloro-2-cyclopropylacetate?
The InChIKey is HHJQXFNQWRDALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3H2,1H3.
What are the key properties of methyl 2-chloro-2-cyclopropylacetate?
methyl 2-chloro-2-cyclopropylacetate has a molecular weight of 148.59 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-cyclopropylacetate is sourced from PubChem (CID 15659586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).