methyl 1-(iodomethyl)cyclopentane-1-carboxylate

C8H13IO2 — CID 67231596

IUPACmethyl 1-(iodomethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CI)CCCC1
InChIInChI=1S/C8H13IO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-6H2,1H3
InChIKeyCLOXIKVZUSENKQ-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.15
Rot. Bonds2

About methyl 1-(iodomethyl)cyclopentane-1-carboxylate

methyl 1-(iodomethyl)cyclopentane-1-carboxylate (PubChem CID 67231596) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is methyl 1-(iodomethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(iodomethyl)cyclopentane-1-carboxylate
PubChem CID67231596
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Namemethyl 1-(iodomethyl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CI)CCCC1
InChIInChI=1S/C8H13IO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-6H2,1H3
InChIKeyCLOXIKVZUSENKQ-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(iodomethyl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(iodomethyl)cyclopentane-1-carboxylate (CID 67231596) is methyl 1-(iodomethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(iodomethyl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(iodomethyl)cyclopentane-1-carboxylate is COC(=O)C1(CI)CCCC1.
What is the InChIKey of methyl 1-(iodomethyl)cyclopentane-1-carboxylate?
The InChIKey is CLOXIKVZUSENKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-6H2,1H3.
What are the key properties of methyl 1-(iodomethyl)cyclopentane-1-carboxylate?
methyl 1-(iodomethyl)cyclopentane-1-carboxylate has a molecular weight of 268.09 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(iodomethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 67231596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).