2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane

C68H124 — CID 159760905

IUPAC2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
SMILESCC1C2CC3CC(C2)CC1C3.CC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CCC1C2CC3CC(C2)CC1C3.CCC1CC2CCC1C2.CCC1CCCC1.CCC1CCCCC1
InChIInChI=1S/C12H20.C11H18.C9H16.C8H14.C8H16.2C7H14.C6H12/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;1-6-4-2-3-5-6/h8-12H,2-7H2,1H3;7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyNEWCCJHJTKZSLS-UHFFFAOYSA-N
MW941.74 g/mol
LogP22.17
Rot. Bonds4

About 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane

2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane (PubChem CID 159760905) has the molecular formula C68H124 and a molecular weight of 941.74 g/mol. Its IUPAC name is 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane.

Molecular Properties

Compound Name2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
PubChem CID159760905
Molecular FormulaC68H124
Molecular Weight941.74 g/mol
Exact Mass940.97
IUPAC Name2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
SMILESCC1C2CC3CC(C2)CC1C3.CC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CCC1C2CC3CC(C2)CC1C3.CCC1CC2CCC1C2.CCC1CCCC1.CCC1CCCCC1
InChIInChI=1S/C12H20.C11H18.C9H16.C8H14.C8H16.2C7H14.C6H12/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;1-6-4-2-3-5-6/h8-12H,2-7H2,1H3;7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyNEWCCJHJTKZSLS-UHFFFAOYSA-N
XLogP22.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.74
LogP ≤ 522.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane with MolForge

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Related Compounds

1,1,2,2,3,3,4,4,5,5-decadeuterio-6-methylcyclohexane;2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane;2-methylpentane;1,1,2,2,3,3,4,4-octadeuterio-5-methylcyclopentane;1,1,1-trideuterio-2-(trideuteriomethyl)butane
CID 161230879
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
2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;1,1,1,2,4,4,4-heptadeuterio-3-methyl-2-(trideuteriomethyl)butane;1,1,1,4,4,4-hexadeuterio-3-methyl-2,2-bis(trideuteriomethyl)butane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane;1,1,1,2-tetradeuterio-2-(trideuteriomethyl)butane;1,1,1-trideuterio-2-(trideuteriomethyl)butane
CID 159600004
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
ethane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane
CID 158423545
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
(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
2,3-diethylbicyclo[2.2.1]heptane;2,5-diethylbicyclo[2.2.1]heptane;2,6-diethylbicyclo[2.2.1]heptane;2,3-dimethylbicyclo[2.2.1]heptane;2,5-dimethylbicyclo[2.2.1]heptane;2,6-dimethylbicyclo[2.2.1]heptane;1-methyl-2-[(2-methylcyclohexyl)methyl]cyclohexane;1-methyl-2-[(3-methylcyclohexyl)methyl]cyclohexane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 161435215
carbanide;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 162292868
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554

Frequently Asked Questions

What is the IUPAC name of 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?
The IUPAC name of 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane (CID 159760905) is 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane.
What is the SMILES notation for 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?
The canonical SMILES for 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane is CC1C2CC3CC(C2)CC1C3.CC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CCC1C2CC3CC(C2)CC1C3.CCC1CC2CCC1C2.CCC1CCCC1.CCC1CCCCC1.
What is the InChIKey of 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?
The InChIKey is NEWCCJHJTKZSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20.C11H18.C9H16.C8H14.C8H16.2C7H14.C6H12/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-2-8-5-7-3-4-9(8)6-7;1-6-4-7-2-3-8(6)5-7;1-2-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7;1-2-7-5-3-4-6-7;1-6-4-2-3-5-6/h8-12H,2-7H2,1H3;7-11H,2-6H2,1H3;7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?
2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane has a molecular weight of 941.74 g/mol, XLogP of 22.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyladamantane;2-ethylbicyclo[2.2.1]heptane;ethylcyclohexane;ethylcyclopentane;2-methyladamantane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane is sourced from PubChem (CID 159760905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).