iodomethane;1-methoxy-2-methylcyclohexane

C9H19IO — CID 168960472

IUPACiodomethane;1-methoxy-2-methylcyclohexane
SMILESCI.COC1CCCCC1C
InChIInChI=1S/C8H16O.CH3I/c1-7-5-3-4-6-8(7)9-2;1-2/h7-8H,3-6H2,1-2H3;1H3
InChIKeyPUQPLMOVCORRAA-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.26
Rot. Bonds1

About iodomethane;1-methoxy-2-methylcyclohexane

iodomethane;1-methoxy-2-methylcyclohexane (PubChem CID 168960472) has the molecular formula C9H19IO and a molecular weight of 270.15 g/mol. Its IUPAC name is iodomethane;1-methoxy-2-methylcyclohexane.

Molecular Properties

Compound Nameiodomethane;1-methoxy-2-methylcyclohexane
PubChem CID168960472
Molecular FormulaC9H19IO
Molecular Weight270.15 g/mol
Exact Mass270.05
IUPAC Nameiodomethane;1-methoxy-2-methylcyclohexane
SMILESCI.COC1CCCCC1C
InChIInChI=1S/C8H16O.CH3I/c1-7-5-3-4-6-8(7)9-2;1-2/h7-8H,3-6H2,1-2H3;1H3
InChIKeyPUQPLMOVCORRAA-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.26
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 iodomethane;1-methoxy-2-methylcyclohexane?
The IUPAC name of iodomethane;1-methoxy-2-methylcyclohexane (CID 168960472) is iodomethane;1-methoxy-2-methylcyclohexane.
What is the SMILES notation for iodomethane;1-methoxy-2-methylcyclohexane?
The canonical SMILES for iodomethane;1-methoxy-2-methylcyclohexane is CI.COC1CCCCC1C.
What is the InChIKey of iodomethane;1-methoxy-2-methylcyclohexane?
The InChIKey is PUQPLMOVCORRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.CH3I/c1-7-5-3-4-6-8(7)9-2;1-2/h7-8H,3-6H2,1-2H3;1H3.
What are the key properties of iodomethane;1-methoxy-2-methylcyclohexane?
iodomethane;1-methoxy-2-methylcyclohexane has a molecular weight of 270.15 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;1-methoxy-2-methylcyclohexane is sourced from PubChem (CID 168960472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).