1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane

C11H21IO2 — CID 165493546

IUPAC1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane
SMILESCCC(C)(COC1CCCC1I)OC
InChIInChI=1S/C11H21IO2/c1-4-11(2,13-3)8-14-10-7-5-6-9(10)12/h9-10H,4-8H2,1-3H3
InChIKeyOZLNLUUEMXPZLS-UHFFFAOYSA-N
MW312.19 g/mol
LogP3.17
Rot. Bonds5

About 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane

1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane (PubChem CID 165493546) has the molecular formula C11H21IO2 and a molecular weight of 312.19 g/mol. Its IUPAC name is 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane.

Molecular Properties

Compound Name1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane
PubChem CID165493546
Molecular FormulaC11H21IO2
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane
SMILESCCC(C)(COC1CCCC1I)OC
InChIInChI=1S/C11H21IO2/c1-4-11(2,13-3)8-14-10-7-5-6-9(10)12/h9-10H,4-8H2,1-3H3
InChIKeyOZLNLUUEMXPZLS-UHFFFAOYSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 53.17
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 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane?
The IUPAC name of 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane (CID 165493546) is 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane.
What is the SMILES notation for 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane?
The canonical SMILES for 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane is CCC(C)(COC1CCCC1I)OC.
What is the InChIKey of 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane?
The InChIKey is OZLNLUUEMXPZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO2/c1-4-11(2,13-3)8-14-10-7-5-6-9(10)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane?
1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane has a molecular weight of 312.19 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(2-methoxy-2-methylbutoxy)cyclopentane is sourced from PubChem (CID 165493546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).