(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

C100H182 — CID 159070635

About (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

(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 (PubChem CID 159070635) has the molecular formula C100H182 and a molecular weight of 1384.56 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 159070635
• Molecular Formula: C100H182
• Molecular Weight: 1384.56 g/mol
• Exact Mass: 1383.42
• IUPAC Name: (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
• SMILES: CC1C2CCC(C2)[C@H]1C.CC1C2CCC(CC2)[C@H]1C.CCC1CC2CCC1C2.CCC1CCCC1.CCC1CCCCC1.C[C@@H]1C2CCC(C2)C1(C)C.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)C2.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1C2.C[C@H]1CC2CCC1CC2
• InChI: InChI=1S/C11H20.3C10H18.4C9H16.C8H14.C8H16.C7H14/c1-8-9-4-6-10(7-5-9)11(8,2)3;1-7-8-4-5-9(6-8)10(7,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-5-8-3-4-9(7,2)6-8;1-6-7(2)9-4-3-8(6)5-9;1-7-6-8-2-4-9(7)5-3-8;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;1-2-7-5-3-4-6-7/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;2*7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3/t8-,9?,10?;7-,8?,9?;8-,9?,10?;7-,8?,9?,10?;7-,8?,9?;6-,7?,8?,9?;7-,8?,9?;;6-,7?,8?;;/m1100000.0../s1
• InChIKey: JZPIMXMRCJTSQA-QJCWIKRSSA-N
• XLogP: 32.04
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1384.56
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CC1C2CCC(C2)[C@H]1C.CC1C2CCC(CC2)[C@H]1C.CCC1CC2CCC1C2.CCC1CCCC1.CCC1CCCCC1.C[C@@H]1C2CCC(C2)C1(C)C.C[C@@H]1C2CCC(CC2)C1(C)C.C[C@H]1CC2CCC1(C)C2.C[C@H]1CC2CCC1(C)CC2.C[C@H]1CC2CCC1C2.C[C@H]1CC2CCC1CC2.

What is the InChIKey of (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?

The InChIKey is JZPIMXMRCJTSQA-QJCWIKRSSA-N. The full InChI is InChI=1S/C11H20.3C10H18.4C9H16.C8H14.C8H16.C7H14/c1-8-9-4-6-10(7-5-9)11(8,2)3;1-7-8-4-5-9(6-8)10(7,2)3;1-8-7-9-3-5-10(8,2)6-4-9;1-7-8(2)10-5-3-9(7)4-6-10;1-7-5-8-3-4-9(7,2)6-8;1-6-7(2)9-4-3-8(6)5-9;1-7-6-8-2-4-9(7)5-3-8;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;1-2-7-5-3-4-6-7/h8-10H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;8-9H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;2*7-9H,2-6H2,1H3;6-8H,2-5H2,1H3;8H,2-7H2,1H3;7H,2-6H2,1H3/t8-,9?,10?;7-,8?,9?;8-,9?,10?;7-,8?,9?,10?;7-,8?,9?;6-,7?,8?,9?;7-,8?,9?;;6-,7?,8?;;/m1100000.0../s1.

What are the key properties of (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?

(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 has a molecular weight of 1384.56 g/mol, XLogP of 32.04, 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[2.2.1]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 is sourced from PubChem (CID 159070635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).