1-(cyclobutylmethoxy)-2-iodocyclohexane

C11H19IO — CID 165489873

IUPAC1-(cyclobutylmethoxy)-2-iodocyclohexane
SMILESIC1CCCCC1OCC1CCC1
InChIInChI=1S/C11H19IO/c12-10-6-1-2-7-11(10)13-8-9-4-3-5-9/h9-11H,1-8H2
InChIKeyTXAJCAFBPWEGRK-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.55
Rot. Bonds3

About 1-(cyclobutylmethoxy)-2-iodocyclohexane

1-(cyclobutylmethoxy)-2-iodocyclohexane (PubChem CID 165489873) has the molecular formula C11H19IO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(cyclobutylmethoxy)-2-iodocyclohexane.

Molecular Properties

Compound Name1-(cyclobutylmethoxy)-2-iodocyclohexane
PubChem CID165489873
Molecular FormulaC11H19IO
Molecular Weight294.18 g/mol
Exact Mass294.05
IUPAC Name1-(cyclobutylmethoxy)-2-iodocyclohexane
SMILESIC1CCCCC1OCC1CCC1
InChIInChI=1S/C11H19IO/c12-10-6-1-2-7-11(10)13-8-9-4-3-5-9/h9-11H,1-8H2
InChIKeyTXAJCAFBPWEGRK-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.55
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

1-(cyclohexylmethoxy)-2-iodocyclohexane
CID 114774023
3-(cycloheptylmethoxy)-4-iodooxolane
CID 130495065
trans-(1R,2R)-1-ethoxy-2-iodocyclopentane
CID 138481777
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
trans-(1S,2S)-2-(cyclopropylmethoxy)cyclopentan-1-amine
CID 28798081
1-iodo-2-pentoxycyclopentane
CID 114773690
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
CID 114775120
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
1-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cycloheptane
CID 114775044
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethoxy)-2-iodocyclohexane?
The IUPAC name of 1-(cyclobutylmethoxy)-2-iodocyclohexane (CID 165489873) is 1-(cyclobutylmethoxy)-2-iodocyclohexane.
What is the SMILES notation for 1-(cyclobutylmethoxy)-2-iodocyclohexane?
The canonical SMILES for 1-(cyclobutylmethoxy)-2-iodocyclohexane is IC1CCCCC1OCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethoxy)-2-iodocyclohexane?
The InChIKey is TXAJCAFBPWEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO/c12-10-6-1-2-7-11(10)13-8-9-4-3-5-9/h9-11H,1-8H2.
What are the key properties of 1-(cyclobutylmethoxy)-2-iodocyclohexane?
1-(cyclobutylmethoxy)-2-iodocyclohexane has a molecular weight of 294.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethoxy)-2-iodocyclohexane is sourced from PubChem (CID 165489873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).