1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol

C259H456O8 — CID 158771029

About 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol

1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol (PubChem CID 158771029) has the molecular formula C259H456O8 and a molecular weight of 3698.49 g/mol. Its IUPAC name is 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol.

Molecular Properties

• Compound Name: 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol
• PubChem CID: 158771029
• Molecular Formula: C259H456O8
• Molecular Weight: 3698.49 g/mol
• Exact Mass: 3695.53
• IUPAC Name: 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol
• SMILES: CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C12CC3CC(CC(O)(C3)C1)C2.CC1(C)C2CC3CC(C2)CC1C3.CC1(C)C2CC3CC1CC(O)(C3)C2.CC1(C)C2CCC(C2)C1(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1(C)C2(C)C.CC1(C)CC2CCC1C2.CC1(C)CCC2CCCCC2C1.CC1(C)CCCC2CCCCC21.CC1(C)CCCCCC1.CC1(C)CCCCCCCCC1.CC1(C)CCCCCCCCCCC1.CC12CC3(C)CC(C)(C1)CC(O)(C2)C3.CC12CC3(O)CC(O)(C1)CC(O)(C2)C3.CC12CC3CC(C1)CC(O)(C3)C2.CC12CC3CC(CC(C3)C1)C2.CC1C2CC3CC(C2)CC1(C)C3.CCCCC(C)(C)C12CC3CC(CC(C3)C1)C2.CCCCC1C2CC3CC(C2)CC1(C)C3
• InChI: InChI=1S/C17H30.C15H26.2C14H24O.C14H24.C14H28.C13H22O.C12H20O.3C12H20.3C12H22.C12H24.C11H18O3.C11H18O.C11H18.C11H20.C9H16.C9H18/c1-4-5-6-16(2,3)17-10-13-7-14(11-17)9-15(8-13)12-17;1-3-4-5-14-13-7-11-6-12(8-13)10-15(14,2)9-11;2*1-12(2,3)13-5-10-4-11(6-13)8-14(15,7-10)9-13;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2)12-10-8-6-4-3-5-7-9-11-13-14;1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;1-11(2)9-3-8-4-10(11)7-12(13,5-8)6-9;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-8-11-4-9-3-10(5-11)7-12(8,2)6-9;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-10(2)8-9-6-7-12(10,5)11(9,3)4;1-12(2)9-5-7-10-6-3-4-8-11(10)12;1-12(2)8-7-10-5-3-4-6-11(10)9-12;1-12(2)10-8-6-4-3-5-7-9-11-12;1-8-2-9(12)5-10(13,3-8)7-11(14,4-8)6-9;1-10-3-8-2-9(4-10)6-11(12,5-8)7-10;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-10(2)8-5-6-9(7-8)11(10,3)4;1-9(2)6-7-3-4-8(9)5-7;1-9(2)7-5-3-4-6-8-9/h13-15H,4-12H2,1-3H3;11-14H,3-10H2,1-2H3;2*10-11,15H,4-9H2,1-3H3;10-12H,4-9H2,1-3H3;3-13H2,1-2H3;14H,4-9H2,1-3H3;8-10,13H,3-7H2,1-2H3;3*8-11H,3-7H2,1-2H3;9H,6-8H2,1-5H3;2*10-11H,3-9H2,1-2H3;3-11H2,1-2H3;12-14H,2-7H2,1H3;8-9,12H,2-7H2,1H3;8-10H,2-7H2,1H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;3-8H2,1-2H3
• InChIKey: IPWDSQDHEGDOBW-UHFFFAOYSA-N
• XLogP: 74.66
• TPSA: 161.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 267
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3698.49
LogP ≤ 5	74.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol?

The IUPAC name of 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol (CID 158771029) is 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol.

What is the SMILES notation for 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol?

The canonical SMILES for 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol is CC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(C)(C)C12CC3CC(CC(O)(C3)C1)C2.CC(C)(C)C12CC3CC(CC(O)(C3)C1)C2.CC1(C)C2CC3CC(C2)CC1C3.CC1(C)C2CC3CC1CC(O)(C3)C2.CC1(C)C2CCC(C2)C1(C)C.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1(C)C2(C)C.CC1(C)CC2CCC1C2.CC1(C)CCC2CCCCC2C1.CC1(C)CCCC2CCCCC21.CC1(C)CCCCCC1.CC1(C)CCCCCCCCC1.CC1(C)CCCCCCCCCCC1.CC12CC3(C)CC(C)(C1)CC(O)(C2)C3.CC12CC3(O)CC(O)(C1)CC(O)(C2)C3.CC12CC3CC(C1)CC(O)(C3)C2.CC12CC3CC(CC(C3)C1)C2.CC1C2CC3CC(C2)CC1(C)C3.CCCCC(C)(C)C12CC3CC(CC(C3)C1)C2.CCCCC1C2CC3CC(C2)CC1(C)C3.

What is the InChIKey of 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol?

The InChIKey is IPWDSQDHEGDOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30.C15H26.2C14H24O.C14H24.C14H28.C13H22O.C12H20O.3C12H20.3C12H22.C12H24.C11H18O3.C11H18O.C11H18.C11H20.C9H16.C9H18/c1-4-5-6-16(2,3)17-10-13-7-14(11-17)9-15(8-13)12-17;1-3-4-5-14-13-7-11-6-12(8-13)10-15(14,2)9-11;2*1-12(2,3)13-5-10-4-11(6-13)8-14(15,7-10)9-13;1-13(2,3)14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2)12-10-8-6-4-3-5-7-9-11-13-14;1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;1-11(2)9-3-8-4-10(11)7-12(13,5-8)6-9;1-12(2)10-4-8-3-9(6-10)7-11(12)5-8;1-8-11-4-9-3-10(5-11)7-12(8,2)6-9;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;1-10(2)8-9-6-7-12(10,5)11(9,3)4;1-12(2)9-5-7-10-6-3-4-8-11(10)12;1-12(2)8-7-10-5-3-4-6-11(10)9-12;1-12(2)10-8-6-4-3-5-7-9-11-12;1-8-2-9(12)5-10(13,3-8)7-11(14,4-8)6-9;1-10-3-8-2-9(4-10)6-11(12,5-8)7-10;1-11-5-8-2-9(6-11)4-10(3-8)7-11;1-10(2)8-5-6-9(7-8)11(10,3)4;1-9(2)6-7-3-4-8(9)5-7;1-9(2)7-5-3-4-6-8-9/h13-15H,4-12H2,1-3H3;11-14H,3-10H2,1-2H3;2*10-11,15H,4-9H2,1-3H3;10-12H,4-9H2,1-3H3;3-13H2,1-2H3;14H,4-9H2,1-3H3;8-10,13H,3-7H2,1-2H3;3*8-11H,3-7H2,1-2H3;9H,6-8H2,1-5H3;2*10-11H,3-9H2,1-2H3;3-11H2,1-2H3;12-14H,2-7H2,1H3;8-9,12H,2-7H2,1H3;8-10H,2-7H2,1H3;8-9H,5-7H2,1-4H3;7-8H,3-6H2,1-2H3;3-8H2,1-2H3.

What are the key properties of 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol?

1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol has a molecular weight of 3698.49 g/mol, XLogP of 74.66, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyladamantane;bis(3-tert-butyladamantan-1-ol);2-butyl-1-methyladamantane;7,7-dimethyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene;8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene;1,2-dimethyladamantane;2,2-dimethyladamantane;4,4-dimethyladamantan-1-ol;2,2-dimethylbicyclo[2.2.1]heptane;1,1-dimethylcyclodecane;1,1-dimethylcyclododecane;1,1-dimethylcycloheptane;8,8-dimethyltricyclo[5.2.1.02,6]decane;1-methyladamantane;7-methyladamantane-1,3,5-triol;3-methyladamantan-1-ol;1-(2-methylhexan-2-yl)adamantane;1,2,2,7,7-pentamethylbicyclo[2.2.1]heptane;2,2,3,3-tetramethylbicyclo[2.2.1]heptane;3,5,7-trimethyladamantan-1-ol is sourced from PubChem (CID 158771029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).