(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane

C75H142 — CID 165068970

IUPAC(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane
SMILESCC(C)C1C(C)(C)CCC1(C)C.CC1C2CCC(CC2)[C@H]1C.CCC1(C)CC(C)(C)C(C)(C)C1.CCC1CC(C)(C)C(C)(C)C1.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2
InChIInChI=1S/2C12H24.C11H20.C11H22.2C10H18.C9H16/c1-9(2)10-11(3,4)7-8-12(10,5)6;1-7-12(6)8-10(2,3)11(4,5)9-12;1-8-9-4-6-10(7-5-9)11(8,2)3;1-6-9-7-10(2,3)11(4,5)8-9;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/h9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8-10H,4-7H2,1-3H3;9H,6-8H2,1-5H3;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
InChIKeySLAANFOPSSBOFK-OGWXEIJOSA-N
MW1043.96 g/mol
LogP24.82
Rot. Bonds3

About (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane

(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane (PubChem CID 165068970) has the molecular formula C75H142 and a molecular weight of 1043.96 g/mol. Its IUPAC name is (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane
PubChem CID165068970
Molecular FormulaC75H142
Molecular Weight1043.96 g/mol
Exact Mass1043.11
IUPAC Name(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane
SMILESCC(C)C1C(C)(C)CCC1(C)C.CC1C2CCC(CC2)[C@H]1C.CCC1(C)CC(C)(C)C(C)(C)C1.CCC1CC(C)(C)C(C)(C)C1.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2
InChIInChI=1S/2C12H24.C11H20.C11H22.2C10H18.C9H16/c1-9(2)10-11(3,4)7-8-12(10,5)6;1-7-12(6)8-10(2,3)11(4,5)9-12;1-8-9-4-6-10(7-5-9)11(8,2)3;1-6-9-7-10(2,3)11(4,5)8-9;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/h9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8-10H,4-7H2,1-3H3;9H,6-8H2,1-5H3;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
InChIKeySLAANFOPSSBOFK-OGWXEIJOSA-N
XLogP24.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001043.96
LogP ≤ 524.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane with MolForge

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Related Compounds

(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 163979538
(2S)-1,2-dimethylbicyclo[2.2.1]heptane;(3R)-2,3-dimethylbicyclo[2.2.1]heptane;(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;(2S)-2-methylbicyclo[2.2.1]heptane;(2S)-2-methylbicyclo[2.2.2]octane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane
CID 159070635
1,2-dimethylbicyclo[2.2.2]octane;2,3-dimethylbicyclo[2.2.2]octane;1-ethyladamantane;2-methylbicyclo[2.2.2]octane;3-methylspiro[5.5]undecane;2,2,4,4,9-pentamethylspiro[5.5]undecane;2,2,3-trimethylbicyclo[2.2.2]octane;3,3,9-trimethylspiro[5.5]undecane
CID 163420245
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
(3R)-2,3-dimethylbicyclo[2.2.1]heptane;2-ethylbicyclo[2.2.1]heptane;5-ethyl-1,1,3,3-tetramethylcyclohexane;2-ethyl-1,1,3,3-tetramethylcyclopentane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;(3R)-2,2,3-trimethylbicyclo[2.2.1]heptane;1,1,4-trimethylcyclohexane
CID 158100741
1-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165
3-ethyl-3-methylbicyclo[4.2.1]nonane
CID 146888637
9-(4-ethylcyclohexyl)-2-(1-hydroxyethyl)-3,4a,5a,10,12,12a-hexamethyl-7-propan-2-yl-2,3,4,5,6,6a,7,8,9,10,10a,11,11a,12-tetradecahydro-1H-tetracene-1,11-diol
CID 118016025
(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1,1,3,3,5,5-hexamethylcyclohexane;1,1,2,3,3-pentamethylcyclohexane;1,1,3,3,5-pentamethylcyclohexane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane;(2R)-1,1,2-trimethylcyclohexane
CID 167712089
1,1-dimethylcyclohexane;1,3-dimethylcyclohexane;1,4-dimethylcyclohexane;(2R)-1,2-dimethylcyclohexane;1-ethyl-1-methylcyclopentane;2,2,3,3,4,4-hexamethylpentane;(2S)-2-methylbicyclo[2.2.1]heptane;7-methylbicyclo[2.2.1]heptane;2,2,3,4,4-pentamethylpentane;propan-2-ylcyclopentane
CID 167547358
1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
CID 159704099
butan-2-ylcyclobutane;tert-butylcyclobutane;(2S)-1,2-dimethylbicyclo[2.2.1]heptane;1-methyl-3-propan-2-ylcyclobutane;1,2,3,4-tetramethylcyclobutane;1,2,3-trimethylcyclohexane;1,2,3-trimethylcyclopentane;(2S)-1,2,4-trimethylcyclopentane
CID 159888503

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane?
The IUPAC name of (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane (CID 165068970) is (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane.
What is the SMILES notation for (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane?
The canonical SMILES for (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane is CC(C)C1C(C)(C)CCC1(C)C.CC1C2CCC(CC2)[C@H]1C.CCC1(C)CC(C)(C)C(C)(C)C1.CCC1CC(C)(C)C(C)(C)C1.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1CC2.
What is the InChIKey of (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane?
The InChIKey is SLAANFOPSSBOFK-OGWXEIJOSA-N. The full InChI is InChI=1S/2C12H24.C11H20.C11H22.2C10H18.C9H16/c1-9(2)10-11(3,4)7-8-12(10,5)6;1-7-12(6)8-10(2,3)11(4,5)9-12;1-8-9-4-6-10(7-5-9)11(8,2)3;1-6-9-7-10(2,3)11(4,5)8-9;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/h9-10H,7-8H2,1-6H3;7-9H2,1-6H3;8-10H,4-7H2,1-3H3;9H,6-8H2,1-5H3;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 (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane?
(2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane has a molecular weight of 1043.96 g/mol, XLogP of 24.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethylbicyclo[2.2.2]octane;(3R)-2,3-dimethylbicyclo[2.2.2]octane;4-ethyl-1,1,2,2,4-pentamethylcyclopentane;4-ethyl-1,1,2,2-tetramethylcyclopentane;(2S)-2-methylbicyclo[2.2.2]octane;1,1,3,3-tetramethyl-2-propan-2-ylcyclopentane;(3R)-2,2,3-trimethylbicyclo[2.2.2]octane is sourced from PubChem (CID 165068970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).