1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane

C90H160 — CID 159704099

About 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane

1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane (PubChem CID 159704099) has the molecular formula C90H160 and a molecular weight of 1242.27 g/mol. Its IUPAC name is 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane.

Molecular Properties

• Compound Name: 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
• PubChem CID: 159704099
• Molecular Formula: C90H160
• Molecular Weight: 1242.27 g/mol
• Exact Mass: 1241.25
• IUPAC Name: 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane
• SMILES: CC12CC3CC(CC(C3)C1)C2.CC12CCC(CC1)C2.CC1C2CC3CC(C2)CC1C3.CC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CCC12CC3CC(CC(C3)C1)C2.CCC1C2CC3CC(C2)CC1C3.CCC1CCCC1.CCC1CCCCC1
• InChI: InChI=1S/2C12H20.2C11H18.2C8H14.C8H16.2C7H14.C6H12/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-8-4-2-7(6-8)3-5-8;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/h9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;7-11H,2-6H2,1H3;7H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;2*7H,2-6H2,1H3;6H,2-5H2,1H3
• InChIKey: MXZKGNGMTJKRFJ-UHFFFAOYSA-N
• XLogP: 28.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1242.27
LogP ≤ 5	28.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?

The IUPAC name of 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) is 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane.

What is the SMILES notation for 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?

The canonical SMILES for 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane is CC12CC3CC(CC(C3)C1)C2.CC12CCC(CC1)C2.CC1C2CC3CC(C2)CC1C3.CC1CC2CCC1C2.CC1CCCC1.CC1CCCCC1.CCC12CC3CC(CC(C3)C1)C2.CCC1C2CC3CC(C2)CC1C3.CCC1CCCC1.CCC1CCCCC1.

What is the InChIKey of 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?

The InChIKey is MXZKGNGMTJKRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H20.2C11H18.2C8H14.C8H16.2C7H14.C6H12/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12;1-2-12-10-4-8-3-9(6-10)7-11(12)5-8;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-7-10-3-8-2-9(5-10)6-11(7)4-8;1-8-4-2-7(6-8)3-5-8;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/h9-11H,2-8H2,1H3;8-12H,2-7H2,1H3;8-10H,2-7H2,1H3;7-11H,2-6H2,1H3;7H,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 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane?

1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane has a molecular weight of 1242.27 g/mol, XLogP of 28.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyladamantane;2-ethyladamantane;ethylcyclohexane;ethylcyclopentane;1-methyladamantane;2-methyladamantane;1-methylbicyclo[2.2.1]heptane;2-methylbicyclo[2.2.1]heptane;methylcyclohexane;methylcyclopentane is sourced from PubChem (CID 159704099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).