bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane

C30H60 — CID 160659985

IUPACbis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
SMILESCC.CC1C(C)C2CCC1C(C)C2C.CC1CCCCC1C.CC1CCCCC1C
InChIInChI=1S/C12H22.2C8H16.C2H6/c1-7-8(2)12-6-5-11(7)9(3)10(12)4;2*1-7-5-3-4-6-8(7)2;1-2/h7-12H,5-6H2,1-4H3;2*7-8H,3-6H2,1-2H3;1-2H3
InChIKeyRLNUTASSWJDLOL-UHFFFAOYSA-N
MW420.81 g/mol
LogP10.26
Rot. Bonds

About bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane

bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane (PubChem CID 160659985) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane.

Molecular Properties

Compound Namebis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
PubChem CID160659985
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Namebis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane
SMILESCC.CC1C(C)C2CCC1C(C)C2C.CC1CCCCC1C.CC1CCCCC1C
InChIInChI=1S/C12H22.2C8H16.C2H6/c1-7-8(2)12-6-5-11(7)9(3)10(12)4;2*1-7-5-3-4-6-8(7)2;1-2/h7-12H,5-6H2,1-4H3;2*7-8H,3-6H2,1-2H3;1-2H3
InChIKeyRLNUTASSWJDLOL-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,8-dimethylbicyclo[4.2.0]octane;ethane
CID 158084419
1,2-dimethylcycloicosane
CID 123296856
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcyclohexane;vanadium
CID 142004480
1,2-dimethylcyclohexane;ethane;propane
CID 142115318
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2,3-trimethylcycloheptane
CID 54005509
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
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
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane?
The IUPAC name of bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane (CID 160659985) is bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane.
What is the SMILES notation for bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane?
The canonical SMILES for bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane is CC.CC1C(C)C2CCC1C(C)C2C.CC1CCCCC1C.CC1CCCCC1C.
What is the InChIKey of bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane?
The InChIKey is RLNUTASSWJDLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.2C8H16.C2H6/c1-7-8(2)12-6-5-11(7)9(3)10(12)4;2*1-7-5-3-4-6-8(7)2;1-2/h7-12H,5-6H2,1-4H3;2*7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane?
bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane has a molecular weight of 420.81 g/mol, XLogP of 10.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylcyclohexane);ethane;2,3,5,6-tetramethylbicyclo[2.2.2]octane is sourced from PubChem (CID 160659985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).