methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate

C12H19ClO4 — CID 15659574

IUPACmethyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate
SMILESCOC(=O)C(Cl)C1(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H19ClO4/c1-11(2,3)17-8(14)7-12(5-6-12)9(13)10(15)16-4/h9H,5-7H2,1-4H3
InChIKeyYENTVBAJTYFIPG-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.28
Rot. Bonds4

About methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate

methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate (PubChem CID 15659574) has the molecular formula C12H19ClO4 and a molecular weight of 262.73 g/mol. Its IUPAC name is methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate
PubChem CID15659574
Molecular FormulaC12H19ClO4
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate
SMILESCOC(=O)C(Cl)C1(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H19ClO4/c1-11(2,3)17-8(14)7-12(5-6-12)9(13)10(15)16-4/h9H,5-7H2,1-4H3
InChIKeyYENTVBAJTYFIPG-UHFFFAOYSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
CID 158776488
tert-butyl 2-[1-[cyano(hydroxy)methyl]cyclopentyl]acetate
CID 167708398
[1-methoxy-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutan-2-yl]phosphanium
CID 123691775
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
tert-butyl 2-[1-[chloro-(4-methylphenyl)sulfinylmethyl]cyclopentyl]acetate
CID 101408424
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
CID 59833239
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
CID 58431089
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 158639517
methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
CID 134367700
4-O-tert-butyl 1-O-methyl 2-(cyclopentylamino)butanedioate
CID 66586456
4-O-tert-butyl 1-O-methyl (2R)-2-(cyclopentylamino)butanedioate
CID 66586454

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate (CID 15659574) is methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate is COC(=O)C(Cl)C1(CC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate?
The InChIKey is YENTVBAJTYFIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClO4/c1-11(2,3)17-8(14)7-12(5-6-12)9(13)10(15)16-4/h9H,5-7H2,1-4H3.
What are the key properties of methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate?
methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate has a molecular weight of 262.73 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate is sourced from PubChem (CID 15659574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).