1-(4-iodoheptyl)-4-methylcyclohexane

C14H27I — CID 118203384

IUPAC1-(4-iodoheptyl)-4-methylcyclohexane
SMILESCCCC(I)CCCC1CCC(C)CC1
InChIInChI=1S/C14H27I/c1-3-5-14(15)7-4-6-13-10-8-12(2)9-11-13/h12-14H,3-11H2,1-2H3
InChIKeyZVQDWMBLYJGKNQ-UHFFFAOYSA-N
MW322.27 g/mol
LogP5.59
Rot. Bonds6

About 1-(4-iodoheptyl)-4-methylcyclohexane

1-(4-iodoheptyl)-4-methylcyclohexane (PubChem CID 118203384) has the molecular formula C14H27I and a molecular weight of 322.27 g/mol. Its IUPAC name is 1-(4-iodoheptyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(4-iodoheptyl)-4-methylcyclohexane
PubChem CID118203384
Molecular FormulaC14H27I
Molecular Weight322.27 g/mol
Exact Mass322.12
IUPAC Name1-(4-iodoheptyl)-4-methylcyclohexane
SMILESCCCC(I)CCCC1CCC(C)CC1
InChIInChI=1S/C14H27I/c1-3-5-14(15)7-4-6-13-10-8-12(2)9-11-13/h12-14H,3-11H2,1-2H3
InChIKeyZVQDWMBLYJGKNQ-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.27
LogP ≤ 55.59
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

2,3-difluoro-1-[[4-(4-iodoheptyl)cyclohexyl]methoxy]-4-methoxybenzene
CID 122536213
1-(3-bromohexyl)-4-methylcyclohexane
CID 64774091
1-butyl-4-methylcyclooctane
CID 123623113
1-(3-fluoropropyl)-4-methylcyclohexane
CID 166888842
1-(3-chloropropyl)-4-methylcyclohexane
CID 64775932
3-(4-methylcyclohexyl)propane-1-thiol
CID 139295204
1-methyl-4-pentylcycloheptane
CID 123318058
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-(4-butyloctyl)-3-methylcyclopentane
CID 123934919
hexane;pentylcyclopropane
CID 159592467
1-(6-methoxy-3-propylhexyl)-4-methylcyclohexane
CID 163917952

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodoheptyl)-4-methylcyclohexane?
The IUPAC name of 1-(4-iodoheptyl)-4-methylcyclohexane (CID 118203384) is 1-(4-iodoheptyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(4-iodoheptyl)-4-methylcyclohexane?
The canonical SMILES for 1-(4-iodoheptyl)-4-methylcyclohexane is CCCC(I)CCCC1CCC(C)CC1.
What is the InChIKey of 1-(4-iodoheptyl)-4-methylcyclohexane?
The InChIKey is ZVQDWMBLYJGKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27I/c1-3-5-14(15)7-4-6-13-10-8-12(2)9-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(4-iodoheptyl)-4-methylcyclohexane?
1-(4-iodoheptyl)-4-methylcyclohexane has a molecular weight of 322.27 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodoheptyl)-4-methylcyclohexane is sourced from PubChem (CID 118203384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).