(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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane

C172H296 — CID 158507977

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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane

(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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane (PubChem CID 158507977) has the molecular formula C172H296 and a molecular weight of 2364.26 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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane.

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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane
• PubChem CID: 158507977
• Molecular Formula: C172H296
• Molecular Weight: 2364.26 g/mol
• Exact Mass: 2362.32
• 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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane
• SMILES: CC(C)[C@@]1(C)CC2CC1C1CCCC21.CC(C)[C@@]1(C)CC2CC1CC21CC2CCC1C2.CC(C)[C@@]1(C)CC2CCC1C2.CC1(C)C2C3CCCC3C1C(C)(C)C2(C)C.CC1(C)CC2C3CCCC3C1(C)C2(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CC1CC21CC2CCC1C2.CC1(C)CC2CCC1C2.CCC(C)[C@@]1(C)CC2CCC1C2.CCCC[C@@]1(C)CC2CCC1C2.CC[C@@]1(C)CC2CC1C1CCCC21.CC[C@@]1(C)CC2CC1CC21CC2CCC1C2.CC[C@@]1(C)CC2CCC1C2
• InChI: InChI=1S/C17H28.C16H26.C16H28.C15H24.C15H26.C14H24.C13H22.C12H20.2C12H22.C11H20.C10H18.C9H16/c1-11(2)16(3)9-15-7-14(16)10-17(15)8-12-4-5-13(17)6-12;1-3-15(2)9-14-7-13(15)10-16(14)8-11-4-5-12(16)6-11;1-14(2)12-10-8-7-9-11(10)13(14)16(5,6)15(12,3)4;1-14(2)8-13-6-12(14)9-15(13)7-10-3-4-11(15)5-10;1-13(2)9-12-10-7-6-8-11(10)15(13,5)14(12,3)4;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;1-4-9(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/h11-15H,4-10H2,1-3H3;11-14H,3-10H2,1-2H3;10-13H,7-9H2,1-6H3;10-13H,3-9H2,1-2H3;10-12H,6-9H2,1-5H3;9-13H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;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/t12?,13?,14?,15?,16-,17?;11?,12?,13?,14?,15-,16?;;;;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: HKRPMIXLZAGECD-PCDKGCSASA-N
• XLogP: 51.83
• TPSA: 0.00 Ų
• Rotatable Bonds: 11
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2364.26
LogP ≤ 5	51.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane?

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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane (CID 158507977) 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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane.

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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane?

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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane is CC(C)[C@@]1(C)CC2CC1C1CCCC21.CC(C)[C@@]1(C)CC2CC1CC21CC2CCC1C2.CC(C)[C@@]1(C)CC2CCC1C2.CC1(C)C2C3CCCC3C1C(C)(C)C2(C)C.CC1(C)CC2C3CCCC3C1(C)C2(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CC1CC21CC2CCC1C2.CC1(C)CC2CCC1C2.CCC(C)[C@@]1(C)CC2CCC1C2.CCCC[C@@]1(C)CC2CCC1C2.CC[C@@]1(C)CC2CC1C1CCCC21.CC[C@@]1(C)CC2CC1CC21CC2CCC1C2.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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane?

The InChIKey is HKRPMIXLZAGECD-PCDKGCSASA-N. The full InChI is InChI=1S/C17H28.C16H26.C16H28.C15H24.C15H26.C14H24.C13H22.C12H20.2C12H22.C11H20.C10H18.C9H16/c1-11(2)16(3)9-15-7-14(16)10-17(15)8-12-4-5-13(17)6-12;1-3-15(2)9-14-7-13(15)10-16(14)8-11-4-5-12(16)6-11;1-14(2)12-10-8-7-9-11(10)13(14)16(5,6)15(12,3)4;1-14(2)8-13-6-12(14)9-15(13)7-10-3-4-11(15)5-10;1-13(2)9-12-10-7-6-8-11(10)15(13,5)14(12,3)4;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;1-4-9(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/h11-15H,4-10H2,1-3H3;11-14H,3-10H2,1-2H3;10-13H,7-9H2,1-6H3;10-13H,3-9H2,1-2H3;10-12H,6-9H2,1-5H3;9-13H,4-8H2,1-3H3;9-12H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;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/t12?,13?,14?,15?,16-,17?;11?,12?,13?,14?,15-,16?;;;;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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane?

(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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane has a molecular weight of 2364.26 g/mol, XLogP of 51.83, 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;5',5'-dimethyl-2,2'-spirobi[bicyclo[2.2.1]heptane];8,8-dimethyltricyclo[5.2.1.02,6]decane;(2S)-2-ethyl-2-methylbicyclo[2.2.1]heptane;(5'S)-5'-ethyl-5'-methyl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8S)-8-ethyl-8-methyltricyclo[5.2.1.02,6]decane;8,8,9,9,10,10-hexamethyltricyclo[5.2.1.02,6]decane;(2R)-2-methyl-2-propan-2-ylbicyclo[2.2.1]heptane;(5'R)-5'-methyl-5'-propan-2-yl-2,2'-spirobi[bicyclo[2.2.1]heptane];(8R)-8-methyl-8-propan-2-yltricyclo[5.2.1.02,6]decane;1,9,9,10,10-pentamethyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 158507977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).