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

C14H23ClO4 — CID 158639517

IUPACchloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1(C(=O)OCCl)CCCCC1
InChIInChI=1S/C14H23ClO4/c1-13(2,3)19-11(16)9-14(12(17)18-10-15)7-5-4-6-8-14/h4-10H2,1-3H3
InChIKeyRIGYKATZIHLUEL-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.41
Rot. Bonds4

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

chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate (PubChem CID 158639517) has the molecular formula C14H23ClO4 and a molecular weight of 290.79 g/mol. Its IUPAC name is chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namechloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
PubChem CID158639517
Molecular FormulaC14H23ClO4
Molecular Weight290.79 g/mol
Exact Mass290.13
IUPAC Namechloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1(C(=O)OCCl)CCCCC1
InChIInChI=1S/C14H23ClO4/c1-13(2,3)19-11(16)9-14(12(17)18-10-15)7-5-4-6-8-14/h4-10H2,1-3H3
InChIKeyRIGYKATZIHLUEL-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate 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
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
1-O'-tert-butyl 1-O-(chloromethyl) cyclopropane-1,1-dicarboxylate
CID 155592238
tert-butyl 2-[1-[methoxy(methyl)carbamoyl]cyclopropyl]acetate
CID 58431089
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
1-O-tert-butyl 3-O-(chloromethyl) 3-ethylpyrrolidine-1,3-dicarboxylate
CID 165439576
chloromethyl 1-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 165439687
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602
7-O-tert-butyl 1-O-(chloromethyl) 7-azabicyclo[2.2.1]heptane-1,7-dicarboxylate
CID 165439001
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
tert-butyl 1-butylcyclohexane-1-carboxylate
CID 150671065
tert-butyl 2-[1-(chloromethyl)cyclohexyl]propanoate
CID 102439765

Frequently Asked Questions

What is the IUPAC name of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate?
The IUPAC name of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate (CID 158639517) is chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate?
The canonical SMILES for chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate is CC(C)(C)OC(=O)CC1(C(=O)OCCl)CCCCC1.
What is the InChIKey of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate?
The InChIKey is RIGYKATZIHLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClO4/c1-13(2,3)19-11(16)9-14(12(17)18-10-15)7-5-4-6-8-14/h4-10H2,1-3H3.
What are the key properties of chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate?
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate has a molecular weight of 290.79 g/mol, XLogP of 3.41, 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]cyclohexane-1-carboxylate is sourced from PubChem (CID 158639517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).