ethyl 2-iodocyclopentane-1-carboxylate

C8H13IO2 — CID 15315316

IUPACethyl 2-iodocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1I
InChIInChI=1S/C8H13IO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5H2,1H3
InChIKeyNRSKTVCKDNVIEC-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.15
Rot. Bonds2

About ethyl 2-iodocyclopentane-1-carboxylate

ethyl 2-iodocyclopentane-1-carboxylate (PubChem CID 15315316) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is ethyl 2-iodocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-iodocyclopentane-1-carboxylate
PubChem CID15315316
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Nameethyl 2-iodocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1I
InChIInChI=1S/C8H13IO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5H2,1H3
InChIKeyNRSKTVCKDNVIEC-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 ethyl 2-iodocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-iodocyclopentane-1-carboxylate (CID 15315316) is ethyl 2-iodocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-iodocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-iodocyclopentane-1-carboxylate is CCOC(=O)C1CCCC1I.
What is the InChIKey of ethyl 2-iodocyclopentane-1-carboxylate?
The InChIKey is NRSKTVCKDNVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c1-2-11-8(10)6-4-3-5-7(6)9/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-iodocyclopentane-1-carboxylate?
ethyl 2-iodocyclopentane-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 ethyl 2-iodocyclopentane-1-carboxylate is sourced from PubChem (CID 15315316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).