1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane

C15H27IO — CID 114775186

IUPAC1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
SMILESCC1(C)CCC(OC2CCCCCC2I)CC1
InChIInChI=1S/C15H27IO/c1-15(2)10-8-12(9-11-15)17-14-7-5-3-4-6-13(14)16/h12-14H,3-11H2,1-2H3
InChIKeyLZHLQEHHPRJVPR-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.11
Rot. Bonds2

About 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane

1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane (PubChem CID 114775186) has the molecular formula C15H27IO and a molecular weight of 350.28 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
PubChem CID114775186
Molecular FormulaC15H27IO
Molecular Weight350.28 g/mol
Exact Mass350.11
IUPAC Name1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane
SMILESCC1(C)CCC(OC2CCCCCC2I)CC1
InChIInChI=1S/C15H27IO/c1-15(2)10-8-12(9-11-15)17-14-7-5-3-4-6-13(14)16/h12-14H,3-11H2,1-2H3
InChIKeyLZHLQEHHPRJVPR-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.11
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'}

Analyze 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodo-2-(4-methoxycyclohexyl)oxycyclohexane
CID 165493538
2-(4,4-dimethylcyclohexyl)oxycyclohexan-1-amine
CID 114340866
2-(4,4-dimethylcyclohexyl)oxycyclopentan-1-amine
CID 114340845
2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
CID 114340804
4-(2-iodocyclopentyl)oxyoxane
CID 114772305
1-(2-iodocyclopentyl)oxy-3-methylcyclohexane
CID 114773596
1,2-dicyclopropyloxycyclohexane
CID 175423114
(2-iodocyclododecyl)oxy-trimethylsilane
CID 12624042
4-(3-chloro-2-methoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342820
1-iodo-2-pentan-3-yloxycyclooctane
CID 165493288
1-iodo-2-[(2-methylpropan-2-yl)oxy]cyclohexane
CID 12578562
2-bromo-1-cyclodecyloxy-3-cyclooctyloxycycloundecane
CID 146579613

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane (CID 114775186) is 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane is CC1(C)CCC(OC2CCCCCC2I)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane?
The InChIKey is LZHLQEHHPRJVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27IO/c1-15(2)10-8-12(9-11-15)17-14-7-5-3-4-6-13(14)16/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane?
1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane has a molecular weight of 350.28 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)oxy-2-iodocycloheptane is sourced from PubChem (CID 114775186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).