1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane

C14H25I — CID 142624044

IUPAC1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(I)C(C)C2)CC1
InChIInChI=1S/C14H25I/c1-10-3-5-12(6-4-10)13-7-8-14(15)11(2)9-13/h10-14H,3-9H2,1-2H3
InChIKeyFPVAIVCJMDVSDD-UHFFFAOYSA-N
MW320.26 g/mol
LogP5.05
Rot. Bonds1

About 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane

1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane (PubChem CID 142624044) has the molecular formula C14H25I and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
PubChem CID142624044
Molecular FormulaC14H25I
Molecular Weight320.26 g/mol
Exact Mass320.10
IUPAC Name1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane
SMILESCC1CCC(C2CCC(I)C(C)C2)CC1
InChIInChI=1S/C14H25I/c1-10-3-5-12(6-4-10)13-7-8-14(15)11(2)9-13/h10-14H,3-9H2,1-2H3
InChIKeyFPVAIVCJMDVSDD-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.26
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-iodo-3-methylcyclohexyl)-2-methylcyclohexane-1-thiol
CID 153363821
trans-(2R,4R)-1,2-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 59970721
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);molecular hydrogen;1,2,3-trimethyl-5-(4-methylcyclohexyl)cyclohexane;hydrate
CID 160608283
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
1-cycloheptyl-3,6-dimethylcyclooctane;methylcyclopropane
CID 158856738
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
2-iodo-5-methylbicyclo[4.2.2]decane
CID 167187390
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-2-iodocyclohexane
CID 118887189
(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
CID 59912966
2-[2-methyl-4-(4-methylcyclohexyl)cyclohexyl]-6-oxabicyclo[3.1.1]heptane
CID 142043252
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane?
The IUPAC name of 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane (CID 142624044) is 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane?
The canonical SMILES for 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane is CC1CCC(C2CCC(I)C(C)C2)CC1.
What is the InChIKey of 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane?
The InChIKey is FPVAIVCJMDVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25I/c1-10-3-5-12(6-4-10)13-7-8-14(15)11(2)9-13/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane?
1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane has a molecular weight of 320.26 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-4-(4-methylcyclohexyl)cyclohexane is sourced from PubChem (CID 142624044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).