ethane;1,2,3,6-tetramethylcyclooctane

C16H36 — CID 178085066

IUPACethane;1,2,3,6-tetramethylcyclooctane
SMILESCC.CC.CC1CCC(C)C(C)C(C)CC1
InChIInChI=1S/C12H24.2C2H6/c1-9-5-7-10(2)12(4)11(3)8-6-9;2*1-2/h9-12H,5-8H2,1-4H3;2*1-2H3
InChIKeyMRQONOARTHVBFN-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.16
Rot. Bonds

About ethane;1,2,3,6-tetramethylcyclooctane

ethane;1,2,3,6-tetramethylcyclooctane (PubChem CID 178085066) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is ethane;1,2,3,6-tetramethylcyclooctane.

Molecular Properties

Compound Nameethane;1,2,3,6-tetramethylcyclooctane
PubChem CID178085066
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameethane;1,2,3,6-tetramethylcyclooctane
SMILESCC.CC.CC1CCC(C)C(C)C(C)CC1
InChIInChI=1S/C12H24.2C2H6/c1-9-5-7-10(2)12(4)11(3)8-6-9;2*1-2/h9-12H,5-8H2,1-4H3;2*1-2H3
InChIKeyMRQONOARTHVBFN-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,7-pentamethylcyclononane
CID 123773414
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
ethane;methylcyclopropane
CID 158329065
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
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,6-tetramethylcyclooctane?
The IUPAC name of ethane;1,2,3,6-tetramethylcyclooctane (CID 178085066) is ethane;1,2,3,6-tetramethylcyclooctane.
What is the SMILES notation for ethane;1,2,3,6-tetramethylcyclooctane?
The canonical SMILES for ethane;1,2,3,6-tetramethylcyclooctane is CC.CC.CC1CCC(C)C(C)C(C)CC1.
What is the InChIKey of ethane;1,2,3,6-tetramethylcyclooctane?
The InChIKey is MRQONOARTHVBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.2C2H6/c1-9-5-7-10(2)12(4)11(3)8-6-9;2*1-2/h9-12H,5-8H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1,2,3,6-tetramethylcyclooctane?
ethane;1,2,3,6-tetramethylcyclooctane has a molecular weight of 228.46 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,6-tetramethylcyclooctane is sourced from PubChem (CID 178085066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).