1-(diiodomethyl)-4-ethoxycyclohexane

C9H16I2O — CID 89029321

IUPAC1-(diiodomethyl)-4-ethoxycyclohexane
SMILESCCOC1CCC(C(I)I)CC1
InChIInChI=1S/C9H16I2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h7-9H,2-6H2,1H3
InChIKeyMSZOGWHKGJIDTA-UHFFFAOYSA-N
MW394.03 g/mol
LogP3.78
Rot. Bonds3

About 1-(diiodomethyl)-4-ethoxycyclohexane

1-(diiodomethyl)-4-ethoxycyclohexane (PubChem CID 89029321) has the molecular formula C9H16I2O and a molecular weight of 394.03 g/mol. Its IUPAC name is 1-(diiodomethyl)-4-ethoxycyclohexane.

Molecular Properties

Compound Name1-(diiodomethyl)-4-ethoxycyclohexane
PubChem CID89029321
Molecular FormulaC9H16I2O
Molecular Weight394.03 g/mol
Exact Mass393.93
IUPAC Name1-(diiodomethyl)-4-ethoxycyclohexane
SMILESCCOC1CCC(C(I)I)CC1
InChIInChI=1S/C9H16I2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h7-9H,2-6H2,1H3
InChIKeyMSZOGWHKGJIDTA-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.03
LogP ≤ 53.78
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
2,3-Difluoro-1-(5-iodooctoxy)-4-methylcyclohexane
CID 117792616
2-Fluoro-4-methyl-1-propan-2-yloxycyclohexane
CID 129120859
1-[Fluoro(iodo)methoxy]-4-methylcyclohexane
CID 144495863
1-(2-Fluoroethoxy)-4-methylcyclohexane
CID 167021562
1-(1-Fluoroethoxy)-4-methylcyclohexane
CID 168217949
(2S,4S)-3-ethyl-4-iodo-2-propan-2-yloxane
CID 135059003
(5R)-5-ethyl-2-(iodomethyl)oxane
CID 14892303
1-Cyclohexyloxy-4-methylcyclohexane
CID 9990283
1-Cyclopentyloxy-4-methylcyclohexane
CID 10081055

Frequently Asked Questions

What is the IUPAC name of 1-(diiodomethyl)-4-ethoxycyclohexane?
The IUPAC name of 1-(diiodomethyl)-4-ethoxycyclohexane (CID 89029321) is 1-(diiodomethyl)-4-ethoxycyclohexane.
What is the SMILES notation for 1-(diiodomethyl)-4-ethoxycyclohexane?
The canonical SMILES for 1-(diiodomethyl)-4-ethoxycyclohexane is CCOC1CCC(C(I)I)CC1.
What is the InChIKey of 1-(diiodomethyl)-4-ethoxycyclohexane?
The InChIKey is MSZOGWHKGJIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16I2O/c1-2-12-8-5-3-7(4-6-8)9(10)11/h7-9H,2-6H2,1H3.
What are the key properties of 1-(diiodomethyl)-4-ethoxycyclohexane?
1-(diiodomethyl)-4-ethoxycyclohexane has a molecular weight of 394.03 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diiodomethyl)-4-ethoxycyclohexane is sourced from PubChem (CID 89029321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).