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

C14H27IO2 — CID 114772593

IUPAC1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
SMILESCCOCCOC1(CI)CCC(C(C)C)CC1
InChIInChI=1S/C14H27IO2/c1-4-16-9-10-17-14(11-15)7-5-13(6-8-14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyCSWGKRJGRPOXJH-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.06
Rot. Bonds7

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

1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane (PubChem CID 114772593) has the molecular formula C14H27IO2 and a molecular weight of 354.27 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
PubChem CID114772593
Molecular FormulaC14H27IO2
Molecular Weight354.27 g/mol
Exact Mass354.11
IUPAC Name1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
SMILESCCOCCOC1(CI)CCC(C(C)C)CC1
InChIInChI=1S/C14H27IO2/c1-4-16-9-10-17-14(11-15)7-5-13(6-8-14)12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyCSWGKRJGRPOXJH-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclobutylethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 106204827
1-(iodomethyl)-1-(2-methylpropoxy)-4-propan-2-ylcyclohexane
CID 114772775
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
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
4-tert-butyl-1-(iodomethyl)-1-[2-(2-methylpropoxy)ethoxy]cyclohexane
CID 106449091
1-(2-butoxyethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773263
1-(iodomethyl)-1-(3-methylbutoxy)-4-propylcyclohexane
CID 114772898
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 62108168
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 112587831
1-(1-ethoxypropan-2-yloxy)-1-(iodomethyl)-4-methylcyclohexane
CID 103490011

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane?
The IUPAC name of 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane (CID 114772593) is 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane is CCOCCOC1(CI)CCC(C(C)C)CC1.
What is the InChIKey of 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane?
The InChIKey is CSWGKRJGRPOXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO2/c1-4-16-9-10-17-14(11-15)7-5-13(6-8-14)12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane?
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane has a molecular weight of 354.27 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane is sourced from PubChem (CID 114772593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).