chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate

C11H17ClO4 — CID 158776488

IUPACchloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1(C(=O)OCCl)CC1
InChIInChI=1S/C11H17ClO4/c1-10(2,3)16-8(13)6-11(4-5-11)9(14)15-7-12/h4-7H2,1-3H3
InChIKeyIQNNQTNGWAAHRR-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.24
Rot. Bonds4

About chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate

chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate (PubChem CID 158776488) has the molecular formula C11H17ClO4 and a molecular weight of 248.71 g/mol. Its IUPAC name is chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namechloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
PubChem CID158776488
Molecular FormulaC11H17ClO4
Molecular Weight248.71 g/mol
Exact Mass248.08
IUPAC Namechloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1(C(=O)OCCl)CC1
InChIInChI=1S/C11H17ClO4/c1-10(2,3)16-8(13)6-11(4-5-11)9(14)15-7-12/h4-7H2,1-3H3
InChIKeyIQNNQTNGWAAHRR-UHFFFAOYSA-N
XLogP2.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 158639517
1-O'-tert-butyl 1-O-(chloromethyl) cyclopropane-1,1-dicarboxylate
CID 155592238
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
CID 58431089
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
1-O-tert-butyl 3-O-(chloromethyl) 3-ethylpyrrolidine-1,3-dicarboxylate
CID 165439576
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 165439687
methyl 2-chloro-2-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropyl]acetate
CID 15659574
chloromethyl 1-butylcyclopropane-1-carboxylate
CID 170994600
7-O-tert-butyl 1-O-(chloromethyl) 7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
CID 165439001
tert-butyl 2-(3-prop-1-en-2-ylpyrrolidin-3-yl)acetate
CID 140992404
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139

Frequently Asked Questions

What is the IUPAC name of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate?
The IUPAC name of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate (CID 158776488) is chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate?
The canonical SMILES for chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)CC1(C(=O)OCCl)CC1.
What is the InChIKey of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate?
The InChIKey is IQNNQTNGWAAHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO4/c1-10(2,3)16-8(13)6-11(4-5-11)9(14)15-7-12/h4-7H2,1-3H3.
What are the key properties of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate?
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate has a molecular weight of 248.71 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158776488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).