1-ethoxy-4-(1-iodoethyl)cyclohexane

C10H19IO — CID 168947443

IUPAC1-ethoxy-4-(1-iodoethyl)cyclohexane
SMILESCCOC1CCC(C(C)I)CC1
InChIInChI=1S/C10H19IO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h8-10H,3-7H2,1-2H3
InChIKeyXNRPSXQZXZLUGC-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.41
Rot. Bonds3

About 1-ethoxy-4-(1-iodoethyl)cyclohexane

1-ethoxy-4-(1-iodoethyl)cyclohexane (PubChem CID 168947443) has the molecular formula C10H19IO and a molecular weight of 282.17 g/mol. Its IUPAC name is 1-ethoxy-4-(1-iodoethyl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-(1-iodoethyl)cyclohexane
PubChem CID168947443
Molecular FormulaC10H19IO
Molecular Weight282.17 g/mol
Exact Mass282.05
IUPAC Name1-ethoxy-4-(1-iodoethyl)cyclohexane
SMILESCCOC1CCC(C(C)I)CC1
InChIInChI=1S/C10H19IO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h8-10H,3-7H2,1-2H3
InChIKeyXNRPSXQZXZLUGC-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.41
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-4-methylcyclohexane
CID 6336264
1-Methyl-4-(4-methylcyclohexyl)oxycyclohexane
CID 23565647
Cyclohexyl-ather
CID 59678177
1-Methoxy-4-methyl-d3-benzene
CID 139701
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980
1-(2-Fluoroethyl)-4-propoxycyclohexane
CID 18343982
1-Ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
1-Ethyl-4-(fluoromethoxy)cyclohexane
CID 58719003
1-(1,1-Difluoro-5-iodooctoxy)-2,3-difluoro-4-methylcyclohexane
CID 117792615
2,3-Difluoro-1-(5-iodooctoxy)-4-methylcyclohexane
CID 117792616
2,3-Difluoro-1-(4-iodoheptyl)-4-methoxycyclohexane
CID 118103254

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(1-iodoethyl)cyclohexane?
The IUPAC name of 1-ethoxy-4-(1-iodoethyl)cyclohexane (CID 168947443) is 1-ethoxy-4-(1-iodoethyl)cyclohexane.
What is the SMILES notation for 1-ethoxy-4-(1-iodoethyl)cyclohexane?
The canonical SMILES for 1-ethoxy-4-(1-iodoethyl)cyclohexane is CCOC1CCC(C(C)I)CC1.
What is the InChIKey of 1-ethoxy-4-(1-iodoethyl)cyclohexane?
The InChIKey is XNRPSXQZXZLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO/c1-3-12-10-6-4-9(5-7-10)8(2)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-4-(1-iodoethyl)cyclohexane?
1-ethoxy-4-(1-iodoethyl)cyclohexane has a molecular weight of 282.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(1-iodoethyl)cyclohexane is sourced from PubChem (CID 168947443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).