1,2-dimethylcyclohexane;ethane;propane

C13H30 — CID 142115318

IUPAC1,2-dimethylcyclohexane;ethane;propane
SMILESCC.CC1CCCCC1C.CCC
InChIInChI=1S/C8H16.C3H8.C2H6/c1-7-5-3-4-6-8(7)2;1-3-2;1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRQVUXHHJZMQGQJ-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.28
Rot. Bonds

About 1,2-dimethylcyclohexane;ethane;propane

1,2-dimethylcyclohexane;ethane;propane (PubChem CID 142115318) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is 1,2-dimethylcyclohexane;ethane;propane.

Molecular Properties

Compound Name1,2-dimethylcyclohexane;ethane;propane
PubChem CID142115318
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Name1,2-dimethylcyclohexane;ethane;propane
SMILESCC.CC1CCCCC1C.CCC
InChIInChI=1S/C8H16.C3H8.C2H6/c1-7-5-3-4-6-8(7)2;1-3-2;1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyRQVUXHHJZMQGQJ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethylcyclononadecane
CID 123549851
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
ethane;methylcyclopentane;propane
CID 142080084
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
ethene;methylcyclopentane;propane
CID 143370211
ethane;trans-(1S,2R)-1-ethyl-2-methylcyclohexane
CID 143479638
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
CID 160659985

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexane;ethane;propane?
The IUPAC name of 1,2-dimethylcyclohexane;ethane;propane (CID 142115318) is 1,2-dimethylcyclohexane;ethane;propane.
What is the SMILES notation for 1,2-dimethylcyclohexane;ethane;propane?
The canonical SMILES for 1,2-dimethylcyclohexane;ethane;propane is CC.CC1CCCCC1C.CCC.
What is the InChIKey of 1,2-dimethylcyclohexane;ethane;propane?
The InChIKey is RQVUXHHJZMQGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C3H8.C2H6/c1-7-5-3-4-6-8(7)2;1-3-2;1-2/h7-8H,3-6H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 1,2-dimethylcyclohexane;ethane;propane?
1,2-dimethylcyclohexane;ethane;propane has a molecular weight of 186.38 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexane;ethane;propane is sourced from PubChem (CID 142115318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).