1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane

C14H27IO — CID 114772775

IUPAC1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
SMILESCC(C)COC1(CI)CCC(C(C)C)CC1
InChIInChI=1S/C14H27IO/c1-11(2)9-16-14(10-15)7-5-13(6-8-14)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyRXIQOYQGFMGQGN-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.68
Rot. Bonds5

About 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane

1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane (PubChem CID 114772775) has the molecular formula C14H27IO and a molecular weight of 338.27 g/mol. Its IUPAC name is 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
PubChem CID114772775
Molecular FormulaC14H27IO
Molecular Weight338.27 g/mol
Exact Mass338.11
IUPAC Name1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
SMILESCC(C)COC1(CI)CCC(C(C)C)CC1
InChIInChI=1S/C14H27IO/c1-11(2)9-16-14(10-15)7-5-13(6-8-14)12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyRXIQOYQGFMGQGN-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
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'}

Analyze 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(iodomethyl)-1-(2-methylpentoxy)-4-propan-2-ylcyclohexane
CID 103285102
1-(iodomethyl)-4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 114773879
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 114772593
1-(2-cyclobutylethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 106204827
2-methyl-N-[[1-(2-methylpropoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 63474982
4-tert-butyl-1-(iodomethyl)-1-[2-(2-methylpropoxy)ethoxy]cyclohexane
CID 106449091
1-(2-methylpropoxy)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 115000233
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 82007334
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[2-[1-(2-methylpropoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273104
2-[1-(2-methylpropoxy)cyclobutyl]ethanamine
CID 103273099
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 82007210

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane (CID 114772775) is 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane is CC(C)COC1(CI)CCC(C(C)C)CC1.
What is the InChIKey of 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
The InChIKey is RXIQOYQGFMGQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO/c1-11(2)9-16-14(10-15)7-5-13(6-8-14)12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane?
1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane has a molecular weight of 338.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 114772775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).