dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate

C14H23IO4 — CID 11440439

IUPACdimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate
SMILESCCC1C(CI)CC(C(=O)OC)(C(=O)OC)C1CC
InChIInChI=1S/C14H23IO4/c1-5-10-9(8-15)7-14(11(10)6-2,12(16)18-3)13(17)19-4/h9-11H,5-8H2,1-4H3
InChIKeyUKLIDHNCEAGVMV-UHFFFAOYSA-N
MW382.24 g/mol
LogP2.83
Rot. Bonds5

About dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate

dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate (PubChem CID 11440439) has the molecular formula C14H23IO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate
PubChem CID11440439
Molecular FormulaC14H23IO4
Molecular Weight382.24 g/mol
Exact Mass382.06
IUPAC Namedimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate
SMILESCCC1C(CI)CC(C(=O)OC)(C(=O)OC)C1CC
InChIInChI=1S/C14H23IO4/c1-5-10-9(8-15)7-14(11(10)6-2,12(16)18-3)13(17)19-4/h9-11H,5-8H2,1-4H3
InChIKeyUKLIDHNCEAGVMV-UHFFFAOYSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate 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

dimethyl (3aR,6S,6aR)-6-(iodomethyl)-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan-4,4-dicarboxylate
CID 101176900
cis-dimethyl (3S,4R)-3-(iodomethyl)-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101176905
dimethyl (2S,5R)-2-ethyl-5-methyloxane-3,3-dicarboxylate
CID 101361855
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
dimethyl (3S,3aR,7aR)-3-propyl-2,3,3a,4,5,6,7,7a-octahydroindene-1,1-dicarboxylate
CID 177394180
cis-dimethyl (2S,3R)-2-ethoxycarbothioylsulfanyl-3-(2-ethoxy-2-oxoethyl)cyclobutane-1,1-dicarboxylate
CID 15530646
dimethyl 2-ethyl-5-methyloxepane-3,3-dicarboxylate
CID 101361863
dimethyl 2-[(E)-dodec-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143482
trans-dimethyl (2R,3R)-3-(2-cyclopropyl-2-oxoethyl)-2-ethoxycarbothioylsulfanylcyclobutane-1,1-dicarboxylate
CID 101084618
methyl 1-(iodomethyl)cyclohexane-1-carboxylate
CID 58947958
trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101039601
dimethyl 2-[(E)-4-bromobut-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143483

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate (CID 11440439) is dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate is CCC1C(CI)CC(C(=O)OC)(C(=O)OC)C1CC.
What is the InChIKey of dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is UKLIDHNCEAGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO4/c1-5-10-9(8-15)7-14(11(10)6-2,12(16)18-3)13(17)19-4/h9-11H,5-8H2,1-4H3.
What are the key properties of dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate?
dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 382.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-diethyl-4-(iodomethyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11440439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).