1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane

C11H21IO — CID 118074670

IUPAC1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane
SMILESCC1CCC(OCC(C)(C)I)CC1
InChIInChI=1S/C11H21IO/c1-9-4-6-10(7-5-9)13-8-11(2,3)12/h9-10H,4-8H2,1-3H3
InChIKeyFEDQZFRVRPIZGC-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane

1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane (PubChem CID 118074670) has the molecular formula C11H21IO and a molecular weight of 296.19 g/mol. Its IUPAC name is 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane
PubChem CID118074670
Molecular FormulaC11H21IO
Molecular Weight296.19 g/mol
Exact Mass296.06
IUPAC Name1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane
SMILESCC1CCC(OCC(C)(C)I)CC1
InChIInChI=1S/C11H21IO/c1-9-4-6-10(7-5-9)13-8-11(2,3)12/h9-10H,4-8H2,1-3H3
InChIKeyFEDQZFRVRPIZGC-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.80
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-(2-iodo-2-methylpropoxy)-4-methylcyclohexane?
The IUPAC name of 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane (CID 118074670) is 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane.
What is the SMILES notation for 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane?
The canonical SMILES for 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane is CC1CCC(OCC(C)(C)I)CC1.
What is the InChIKey of 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane?
The InChIKey is FEDQZFRVRPIZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IO/c1-9-4-6-10(7-5-9)13-8-11(2,3)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane?
1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane has a molecular weight of 296.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-2-methylpropoxy)-4-methylcyclohexane is sourced from PubChem (CID 118074670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).