(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane

C162H280 — CID 161451398

About (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane

(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane (PubChem CID 161451398) has the molecular formula C162H280 and a molecular weight of 2228.02 g/mol. Its IUPAC name is (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane.

Molecular Properties

• Compound Name: (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane
• PubChem CID: 161451398
• Molecular Formula: C162H280
• Molecular Weight: 2228.02 g/mol
• Exact Mass: 2226.19
• IUPAC Name: (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane
• SMILES: CC(C)[C@@]1(C)CC2CC1C1C3CCC(C3)C21.CC(C)[C@@]1(C)CC2CC1C1CCCC21.CC(C)[C@@]1(C)CC2CCC1C2.CC1(C)CC2CC1C1C3CCC(C3)C21.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1(C)C2(C)C.CC1(C)CC2CCC1C2.CC12CCC(C1)C(C)(C)C2(C)C.CCC(C)[C@@]1(C)CC2CCC1C2.CCCC[C@@]1(C)CC2CCC1C2.CC[C@@]1(C)CC2CC1C1C3CCC(C3)C21.CC[C@@]1(C)CC2CC1C1CCCC21.CC[C@@]1(C)CC2CCC1C2
• InChI: InChI=1S/C16H26.C15H24.C14H22.C14H24.C13H22.C12H20.4C12H22.C11H20.C10H18.C9H16/c1-9(2)16(3)8-12-7-13(16)15-11-5-4-10(6-11)14(12)15;1-3-15(2)8-11-7-12(15)14-10-5-4-9(6-10)13(11)14;1-14(2)7-10-6-11(14)13-9-4-3-8(5-9)12(10)13;1-9(2)14(3)8-10-7-13(14)12-6-4-5-11(10)12;1-3-13(2)8-9-7-12(13)11-6-4-5-10(9)11;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-10(2)9-6-7-12(5,8-9)11(10,3)4;1-10(2)8-9-6-7-12(10,5)11(9,3)4;1-4-9(2)12(3)8-10-5-6-11(12)7-10;1-3-4-7-12(2)9-10-5-6-11(12)8-10;1-8(2)11(3)7-9-4-5-10(11)6-9;1-3-10(2)7-8-4-5-9(10)6-8;1-9(2)6-7-3-4-8(9)5-7/h9-15H,4-8H2,1-3H3;9-14H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;9-13H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*9H,6-8H2,1-5H3;9-11H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3/t10?,11?,12?,13?,14?,15?,16-;9?,10?,11?,12?,13?,14?,15-;;10?,11?,12?,13?,14-;9?,10?,11?,12?,13-;;;;9?,10?,11?,12-;10?,11?,12-;9?,10?,11-;8?,9?,10-;/m10.10...1010./s1
• InChIKey: WAOPZJBTZZEVIF-OUTNRGPHSA-N
• XLogP: 48.71
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2228.02
LogP ≤ 5	48.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane?

The IUPAC name of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane (CID 161451398) is (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane.

What is the SMILES notation for (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane?

The canonical SMILES for (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane is CC(C)[C@@]1(C)CC2CC1C1C3CCC(C3)C21.CC(C)[C@@]1(C)CC2CC1C1CCCC21.CC(C)[C@@]1(C)CC2CCC1C2.CC1(C)CC2CC1C1C3CCC(C3)C21.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1(C)C2(C)C.CC1(C)CC2CCC1C2.CC12CCC(C1)C(C)(C)C2(C)C.CCC(C)[C@@]1(C)CC2CCC1C2.CCCC[C@@]1(C)CC2CCC1C2.CC[C@@]1(C)CC2CC1C1C3CCC(C3)C21.CC[C@@]1(C)CC2CC1C1CCCC21.CC[C@@]1(C)CC2CCC1C2.

What is the InChIKey of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane?

The InChIKey is WAOPZJBTZZEVIF-OUTNRGPHSA-N. The full InChI is InChI=1S/C16H26.C15H24.C14H22.C14H24.C13H22.C12H20.4C12H22.C11H20.C10H18.C9H16/c1-9(2)16(3)8-12-7-13(16)15-11-5-4-10(6-11)14(12)15;1-3-15(2)8-11-7-12(15)14-10-5-4-9(6-10)13(11)14;1-14(2)7-10-6-11(14)13-9-4-3-8(5-9)12(10)13;1-9(2)14(3)8-10-7-13(14)12-6-4-5-11(10)12;1-3-13(2)8-9-7-12(13)11-6-4-5-10(9)11;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-10(2)9-6-7-12(5,8-9)11(10,3)4;1-10(2)8-9-6-7-12(10,5)11(9,3)4;1-4-9(2)12(3)8-10-5-6-11(12)7-10;1-3-4-7-12(2)9-10-5-6-11(12)8-10;1-8(2)11(3)7-9-4-5-10(11)6-9;1-3-10(2)7-8-4-5-9(10)6-8;1-9(2)6-7-3-4-8(9)5-7/h9-15H,4-8H2,1-3H3;9-14H,3-8H2,1-2H3;8-13H,3-7H2,1-2H3;9-13H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*9H,6-8H2,1-5H3;9-11H,4-8H2,1-3H3;10-11H,3-9H2,1-2H3;8-10H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3/t10?,11?,12?,13?,14?,15?,16-;9?,10?,11?,12?,13?,14?,15-;;10?,11?,12?,13?,14-;9?,10?,11?,12?,13-;;;;9?,10?,11?,12-;10?,11?,12-;9?,10?,11-;8?,9?,10-;/m10.10...1010./s1.

What are the key properties of (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane?

(2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane has a molecular weight of 2228.02 g/mol, XLogP of 48.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-butan-2-yl-2-methylbicyclo[2.2.1]heptane;(2S)-2-butyl-2-methylbicyclo[2.2.1]heptane;2,2-dimethylbicyclo[2.2.1]heptane;4,4-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane;8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(4S)-4-ethyl-4-methyltetracyclo[6.2.1.13,6.02,7]dodecane;(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(4R)-4-methyl-4-propan-2-yltetracyclo[6.2.1.13,6.02,7]dodecane;(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,2,2,3,3-pentamethylbicyclo[2.2.1]heptane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 161451398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).