1-(iodomethoxy)-1-methylcyclohexane

C8H15IO — CID 142277967

IUPAC1-(iodomethoxy)-1-methylcyclohexane
SMILESCC1(OCI)CCCCC1
InChIInChI=1S/C8H15IO/c1-8(10-7-9)5-3-2-4-6-8/h2-7H2,1H3
InChIKeyAVIZMAYOFHDWSE-UHFFFAOYSA-N
MW254.11 g/mol
LogP3.12
Rot. Bonds2

About 1-(iodomethoxy)-1-methylcyclohexane

1-(iodomethoxy)-1-methylcyclohexane (PubChem CID 142277967) has the molecular formula C8H15IO and a molecular weight of 254.11 g/mol. Its IUPAC name is 1-(iodomethoxy)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(iodomethoxy)-1-methylcyclohexane
PubChem CID142277967
Molecular FormulaC8H15IO
Molecular Weight254.11 g/mol
Exact Mass254.02
IUPAC Name1-(iodomethoxy)-1-methylcyclohexane
SMILESCC1(OCI)CCCCC1
InChIInChI=1S/C8H15IO/c1-8(10-7-9)5-3-2-4-6-8/h2-7H2,1H3
InChIKeyAVIZMAYOFHDWSE-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 53.12
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-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
1-chloro-1-methylcyclotridecane
CID 71082065
(1-methylcyclohexyl) 3-iodopropanoate
CID 134285867
1-(iodomethyl)-1-[(1-methylcyclopropyl)methyl]cyclohexane
CID 137413078
bis(1-methylcyclohexyl) hydrogen phosphite
CID 154127230
CID 66889758
CID 66889758
2-[(1-methylcyclobutyl)oxymethyl]oxirane
CID 175392123
bis[(1-methylcyclohexyl)oxy]borinic acid
CID 68895050
1,1-dipropoxycyclodecane
CID 89439642
bis(1-methylcyclohexyl) oxalate
CID 154101354
ethane;(1-methylcyclohexyl) cyanate;propane
CID 142970987

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethoxy)-1-methylcyclohexane?
The IUPAC name of 1-(iodomethoxy)-1-methylcyclohexane (CID 142277967) is 1-(iodomethoxy)-1-methylcyclohexane.
What is the SMILES notation for 1-(iodomethoxy)-1-methylcyclohexane?
The canonical SMILES for 1-(iodomethoxy)-1-methylcyclohexane is CC1(OCI)CCCCC1.
What is the InChIKey of 1-(iodomethoxy)-1-methylcyclohexane?
The InChIKey is AVIZMAYOFHDWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15IO/c1-8(10-7-9)5-3-2-4-6-8/h2-7H2,1H3.
What are the key properties of 1-(iodomethoxy)-1-methylcyclohexane?
1-(iodomethoxy)-1-methylcyclohexane has a molecular weight of 254.11 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethoxy)-1-methylcyclohexane is sourced from PubChem (CID 142277967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).