1,2-dimethylcyclohexane;methane;molecular iodine

C9H20I2 — CID 159309824

IUPAC1,2-dimethylcyclohexane;methane;molecular iodine
SMILESC.CC1CCCCC1C.II
InChIInChI=1S/C8H16.CH4.I2/c1-7-5-3-4-6-8(7)2;;1-2/h7-8H,3-6H2,1-2H3;1H4;
InChIKeyLCJVWUNQHMRCOO-UHFFFAOYSA-N
MW382.07 g/mol
LogP5.24
Rot. Bonds

About 1,2-dimethylcyclohexane;methane;molecular iodine

1,2-dimethylcyclohexane;methane;molecular iodine (PubChem CID 159309824) has the molecular formula C9H20I2 and a molecular weight of 382.07 g/mol. Its IUPAC name is 1,2-dimethylcyclohexane;methane;molecular iodine.

Molecular Properties

Compound Name1,2-dimethylcyclohexane;methane;molecular iodine
PubChem CID159309824
Molecular FormulaC9H20I2
Molecular Weight382.07 g/mol
Exact Mass381.97
IUPAC Name1,2-dimethylcyclohexane;methane;molecular iodine
SMILESC.CC1CCCCC1C.II
InChIInChI=1S/C8H16.CH4.I2/c1-7-5-3-4-6-8(7)2;;1-2/h7-8H,3-6H2,1-2H3;1H4;
InChIKeyLCJVWUNQHMRCOO-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.07
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2,3-trimethylcycloheptane
CID 54005509
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine
CID 88940989
1-iodo-2-methylcyclohexane
CID 527569
bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
CID 160659985
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexane;methane;molecular iodine?
The IUPAC name of 1,2-dimethylcyclohexane;methane;molecular iodine (CID 159309824) is 1,2-dimethylcyclohexane;methane;molecular iodine.
What is the SMILES notation for 1,2-dimethylcyclohexane;methane;molecular iodine?
The canonical SMILES for 1,2-dimethylcyclohexane;methane;molecular iodine is C.CC1CCCCC1C.II.
What is the InChIKey of 1,2-dimethylcyclohexane;methane;molecular iodine?
The InChIKey is LCJVWUNQHMRCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.CH4.I2/c1-7-5-3-4-6-8(7)2;;1-2/h7-8H,3-6H2,1-2H3;1H4;.
What are the key properties of 1,2-dimethylcyclohexane;methane;molecular iodine?
1,2-dimethylcyclohexane;methane;molecular iodine has a molecular weight of 382.07 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexane;methane;molecular iodine is sourced from PubChem (CID 159309824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).