1-cyclohexyl-4-iodocyclohexane

C12H21I — CID 89107988

IUPAC1-cyclohexyl-4-iodocyclohexane
SMILESIC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H21I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyKTDQTYMQLMJWND-UHFFFAOYSA-N
MW292.20 g/mol
LogP4.56
Rot. Bonds1

About 1-cyclohexyl-4-iodocyclohexane

1-cyclohexyl-4-iodocyclohexane (PubChem CID 89107988) has the molecular formula C12H21I and a molecular weight of 292.20 g/mol. Its IUPAC name is 1-cyclohexyl-4-iodocyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-iodocyclohexane
PubChem CID89107988
Molecular FormulaC12H21I
Molecular Weight292.20 g/mol
Exact Mass292.07
IUPAC Name1-cyclohexyl-4-iodocyclohexane
SMILESIC1CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H21I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyKTDQTYMQLMJWND-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 54.56
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

1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
2-iodo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 14026385
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
1,5-diiodocyclotridecane
CID 118632110
(1S)-1,5-diiodocyclododecane
CID 118632109
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-iodocyclohexane?
The IUPAC name of 1-cyclohexyl-4-iodocyclohexane (CID 89107988) is 1-cyclohexyl-4-iodocyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-iodocyclohexane?
The canonical SMILES for 1-cyclohexyl-4-iodocyclohexane is IC1CCC(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-iodocyclohexane?
The InChIKey is KTDQTYMQLMJWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2.
What are the key properties of 1-cyclohexyl-4-iodocyclohexane?
1-cyclohexyl-4-iodocyclohexane has a molecular weight of 292.20 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-iodocyclohexane is sourced from PubChem (CID 89107988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).