1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane

C10H19IO — CID 12578562

IUPAC1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC(C)(C)OC1CCCCC1I
InChIInChI=1S/C10H19IO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7H2,1-3H3
InChIKeySGTLUIJNJQIPQM-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.55
Rot. Bonds1

About 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane

1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane (PubChem CID 12578562) has the molecular formula C10H19IO and a molecular weight of 282.16 g/mol. Its IUPAC name is 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane.

Molecular Properties

Compound Name1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
PubChem CID12578562
Molecular FormulaC10H19IO
Molecular Weight282.16 g/mol
Exact Mass282.05
IUPAC Name1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
SMILESCC(C)(C)OC1CCCCC1I
InChIInChI=1S/C10H19IO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7H2,1-3H3
InChIKeySGTLUIJNJQIPQM-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
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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Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
The IUPAC name of 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane (CID 12578562) is 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane.
What is the SMILES notation for 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
The canonical SMILES for 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane is CC(C)(C)OC1CCCCC1I.
What is the InChIKey of 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
The InChIKey is SGTLUIJNJQIPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane?
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane has a molecular weight of 282.16 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane is sourced from PubChem (CID 12578562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).