1-ethoxy-4-(iodomethyl)cyclohexane

C9H17IO — CID 122551397

IUPAC1-ethoxy-4-(iodomethyl)cyclohexane
SMILESCCOC1CCC(CI)CC1
InChIInChI=1S/C9H17IO/c1-2-11-9-5-3-8(7-10)4-6-9/h8-9H,2-7H2,1H3
InChIKeyZUPSFUYSFFXIAV-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.02
Rot. Bonds3

About 1-ethoxy-4-(iodomethyl)cyclohexane

1-ethoxy-4-(iodomethyl)cyclohexane (PubChem CID 122551397) has the molecular formula C9H17IO and a molecular weight of 268.14 g/mol. Its IUPAC name is 1-ethoxy-4-(iodomethyl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-4-(iodomethyl)cyclohexane
PubChem CID122551397
Molecular FormulaC9H17IO
Molecular Weight268.14 g/mol
Exact Mass268.03
IUPAC Name1-ethoxy-4-(iodomethyl)cyclohexane
SMILESCCOC1CCC(CI)CC1
InChIInChI=1S/C9H17IO/c1-2-11-9-5-3-8(7-10)4-6-9/h8-9H,2-7H2,1H3
InChIKeyZUPSFUYSFFXIAV-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.02
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
1-Methoxy-4-methyl-d3-benzene
CID 139701
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980
1-(2-Fluoroethyl)-4-propoxycyclohexane
CID 18343982
1-Ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
2,3-Difluoro-1-methyl-4-pentoxycyclohexane
CID 71099915
1-Butoxy-2,3-difluoro-4-methylcyclohexane
CID 71099916
2,3-Difluoro-1-hexoxy-4-methylcyclohexane
CID 71099917
2,3-Difluoro-1-methyl-4-propoxycyclohexane
CID 89273822
1-Ethoxy-2,3-difluoro-4-methylcyclohexane
CID 90054459
2,3-Difluoro-1-(5-iodooctoxy)-4-methylcyclohexane
CID 117792616

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(iodomethyl)cyclohexane?
The IUPAC name of 1-ethoxy-4-(iodomethyl)cyclohexane (CID 122551397) is 1-ethoxy-4-(iodomethyl)cyclohexane.
What is the SMILES notation for 1-ethoxy-4-(iodomethyl)cyclohexane?
The canonical SMILES for 1-ethoxy-4-(iodomethyl)cyclohexane is CCOC1CCC(CI)CC1.
What is the InChIKey of 1-ethoxy-4-(iodomethyl)cyclohexane?
The InChIKey is ZUPSFUYSFFXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17IO/c1-2-11-9-5-3-8(7-10)4-6-9/h8-9H,2-7H2,1H3.
What are the key properties of 1-ethoxy-4-(iodomethyl)cyclohexane?
1-ethoxy-4-(iodomethyl)cyclohexane has a molecular weight of 268.14 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(iodomethyl)cyclohexane is sourced from PubChem (CID 122551397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).