1-iodo-2-(2-methylpentoxy)cyclooctane

C14H27IO — CID 103285146

IUPAC1-iodo-2-(2-methylpentoxy)cyclooctane
SMILESCCCC(C)COC1CCCCCCC1I
InChIInChI=1S/C14H27IO/c1-3-8-12(2)11-16-14-10-7-5-4-6-9-13(14)15/h12-14H,3-11H2,1-2H3
InChIKeyJCUUXVNSODSRJO-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.97
Rot. Bonds5

About 1-iodo-2-(2-methylpentoxy)cyclooctane

1-iodo-2-(2-methylpentoxy)cyclooctane (PubChem CID 103285146) has the molecular formula C14H27IO and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-iodo-2-(2-methylpentoxy)cyclooctane.

Molecular Properties

Compound Name1-iodo-2-(2-methylpentoxy)cyclooctane
PubChem CID103285146
Molecular FormulaC14H27IO
Molecular Weight338.27 g/mol
Exact Mass338.11
IUPAC Name1-iodo-2-(2-methylpentoxy)cyclooctane
SMILESCCCC(C)COC1CCCCCCC1I
InChIInChI=1S/C14H27IO/c1-3-8-12(2)11-16-14-10-7-5-4-6-9-13(14)15/h12-14H,3-11H2,1-2H3
InChIKeyJCUUXVNSODSRJO-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpentoxy)cyclododecan-1-ol
CID 103284744
1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
1-(2-ethylhexoxy)-2-iodocycloheptane
CID 114773387
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine
CID 103283512
2-[(2R)-2-methylpentoxy]oxane
CID 57327472
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
CID 114775044
4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol
CID 103284715
(1S,2R,4R,5R)-3,6-bis(2-methylpentoxy)cyclohexane-1,2,4,5-tetrol
CID 163839559
1-(cyclohexylmethoxy)-2-iodocyclohexane
CID 114774023
1-iodo-2-pentoxycyclopentane
CID 114773690
3-(2-methylpentoxy)oxan-4-amine
CID 103283394

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(2-methylpentoxy)cyclooctane?
The IUPAC name of 1-iodo-2-(2-methylpentoxy)cyclooctane (CID 103285146) is 1-iodo-2-(2-methylpentoxy)cyclooctane.
What is the SMILES notation for 1-iodo-2-(2-methylpentoxy)cyclooctane?
The canonical SMILES for 1-iodo-2-(2-methylpentoxy)cyclooctane is CCCC(C)COC1CCCCCCC1I.
What is the InChIKey of 1-iodo-2-(2-methylpentoxy)cyclooctane?
The InChIKey is JCUUXVNSODSRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO/c1-3-8-12(2)11-16-14-10-7-5-4-6-9-13(14)15/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-iodo-2-(2-methylpentoxy)cyclooctane?
1-iodo-2-(2-methylpentoxy)cyclooctane has a molecular weight of 338.27 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(2-methylpentoxy)cyclooctane is sourced from PubChem (CID 103285146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).