4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane

C14H27IO2 — CID 114774147

IUPAC4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
SMILESCCCOCCOC1(CI)CCC(CC)CC1
InChIInChI=1S/C14H27IO2/c1-3-9-16-10-11-17-14(12-15)7-5-13(4-2)6-8-14/h13H,3-12H2,1-2H3
InChIKeyQYOFFJXSNDHYAJ-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.20
Rot. Bonds8

About 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane

4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane (PubChem CID 114774147) has the molecular formula C14H27IO2 and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane.

Molecular Properties

Compound Name4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
PubChem CID114774147
Molecular FormulaC14H27IO2
Molecular Weight354.27 g/mol
Exact Mass354.11
IUPAC Name4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
SMILESCCCOCCOC1(CI)CCC(CC)CC1
InChIInChI=1S/C14H27IO2/c1-3-9-16-10-11-17-14(12-15)7-5-13(4-2)6-8-14/h13H,3-12H2,1-2H3
InChIKeyQYOFFJXSNDHYAJ-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.20
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-butoxyethoxy)-1-(iodomethyl)-4-propylcyclohexane
CID 114773263
1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
CID 165495011
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 114772593
3-[4-ethyl-1-(iodomethyl)cyclohexyl]oxypropylbenzene
CID 114773857
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
1-(iodomethyl)-1-(3-methylbutoxy)-4-propylcyclohexane
CID 114772898
N-[[1-(2-propoxyethoxy)-4-propylcyclohexyl]methyl]propan-2-amine
CID 63686920
N-[[4-ethyl-1-[2-(2-methylpropoxy)ethoxy]cyclohexyl]methyl]propan-1-amine
CID 106449156
1-[2-(cyclobutylmethoxy)ethoxy]-1-(iodomethyl)cyclopentane
CID 165489439
1-(iodomethyl)-1-[2-(2-methoxyethoxy)ethoxy]cyclohexane
CID 114775131
1-(bromomethyl)-1-(2-butoxyethoxy)-4-propylcyclohexane
CID 63476016

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane?
The IUPAC name of 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane (CID 114774147) is 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane.
What is the SMILES notation for 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane?
The canonical SMILES for 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane is CCCOCCOC1(CI)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane?
The InChIKey is QYOFFJXSNDHYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27IO2/c1-3-9-16-10-11-17-14(12-15)7-5-13(4-2)6-8-14/h13H,3-12H2,1-2H3.
What are the key properties of 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane?
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane has a molecular weight of 354.27 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane is sourced from PubChem (CID 114774147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).