1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane

C113H202 — CID 162081852

IUPAC1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
SMILESCC12CC3CC(CC(C3)C1)C2.CC1C2CCC(CC2)[C@H]1C.CC1CCC(C2CCCCC2)CC1.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2
InChIInChI=1S/C14H26.C13H24.C12H20.C12H22.C11H18.2C11H20.2C10H18.C9H16/c1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-8-9-4-6-10(7-5-9)11(8,2)3;1-10-4-8-11(9-5-10)6-2-3-7-11;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-6-8-2-4-9(7)5-3-8/h12H,4-11H2,1-3H3;11-13H,2-10H2,1H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;8-10H,2-7H2,1H3;8-10H,4-7H2,1-3H3;10H,2-9H2,1H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3/t;;;;;8-,9?,10?;;8-,9?,10?;7-,8?,9?,10?;7-,8?,9?/m.....1.000/s1
InChIKeyZCLHCMYCIBSMSS-GBPWGURFSA-N
MW1560.86 g/mol
LogP36.52
Rot. Bonds2

About 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane

1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane (PubChem CID 162081852) has the molecular formula C113H202 and a molecular weight of 1560.86 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane.

Molecular Properties

Compound Name1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
PubChem CID162081852
Molecular FormulaC113H202
Molecular Weight1560.86 g/mol
Exact Mass1559.58
IUPAC Name1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
SMILESCC12CC3CC(CC(C3)C1)C2.CC1C2CCC(CC2)[C@H]1C.CC1CCC(C2CCCCC2)CC1.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2
InChIInChI=1S/C14H26.C13H24.C12H20.C12H22.C11H18.2C11H20.2C10H18.C9H16/c1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-8-9-4-6-10(7-5-9)11(8,2)3;1-10-4-8-11(9-5-10)6-2-3-7-11;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-6-8-2-4-9(7)5-3-8/h12H,4-11H2,1-3H3;11-13H,2-10H2,1H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;8-10H,2-7H2,1H3;8-10H,4-7H2,1-3H3;10H,2-9H2,1H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3/t;;;;;8-,9?,10?;;8-,9?,10?;7-,8?,9?,10?;7-,8?,9?/m.....1.000/s1
InChIKeyZCLHCMYCIBSMSS-GBPWGURFSA-N
XLogP36.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001560.86
LogP ≤ 536.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?
The IUPAC name of 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane (CID 162081852) is 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane.
What is the SMILES notation for 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?
The canonical SMILES for 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane is CC12CC3CC(CC(C3)C1)C2.CC1C2CCC(CC2)[C@H]1C.CC1CCC(C2CCCCC2)CC1.CC1CCC2(CC1)CCC(C)(C)CC2.CC1CCC2(CCCC2)CC1.CC1CCC2(CCCCC2)CC1.CCC12CC3CC(CC(C3)C1)C2.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2.
What is the InChIKey of 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?
The InChIKey is ZCLHCMYCIBSMSS-GBPWGURFSA-N. The full InChI is InChI=1S/C14H26.C13H24.C12H20.C12H22.C11H18.2C11H20.2C10H18.C9H16/c1-12-4-6-14(7-5-12)10-8-13(2,3)9-11-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-11-5-9-12(10-6-11)7-3-2-4-8-12;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-8-9-4-6-10(7-5-9)11(8,2)3;1-10-4-8-11(9-5-10)6-2-3-7-11;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-6-8-2-4-9(7)5-3-8/h12H,4-11H2,1-3H3;11-13H,2-10H2,1H3;9-11H,2-8H2,1H3;11H,2-10H2,1H3;8-10H,2-7H2,1H3;8-10H,4-7H2,1-3H3;10H,2-9H2,1H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-9H,2-6H2,1H3/t;;;;;8-,9?,10?;;8-,9?,10?;7-,8?,9?,10?;7-,8?,9?/m.....1.000/s1.
What are the key properties of 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane?
1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane has a molecular weight of 1560.86 g/mol, XLogP of 36.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylcyclohexane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;1-methyladamantane;(2S)-2-methylbicyclo[2.2.2]octane;8-methylspiro[4.5]decane;3-methylspiro[5.5]undecane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane is sourced from PubChem (CID 162081852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).