(5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]

C125H186N14O18 — CID 157230976

About (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]

(5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole] (PubChem CID 157230976) has the molecular formula C125H186N14O18 and a molecular weight of 2172.94 g/mol. Its IUPAC name is (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole].

Molecular Properties

• Compound Name: (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]
• PubChem CID: 157230976
• Molecular Formula: C125H186N14O18
• Molecular Weight: 2172.94 g/mol
• Exact Mass: 2171.41
• IUPAC Name: (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]
• SMILES: COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)/C(=C\O)C[C@]21C.COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)CC[C@]21C.COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C3(CC[C@]21C)OCCO3.COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)c3oncc3C[C@]21C.C[C@H]1[C@@H]2CC=C(O)C(=O)[C@@]2(C)CCC12OCCO2.Cc1nc2c([nH]1)CC[C@H]1[C@H](C)C3(CC[C@]21C)OCCO3.[C-]#[N+]C1C[C@]2(C)c3nc(C)n(CCCOC)c3CC[C@H]2[C@H](C)C1=O
• InChI: InChI=1S/C20H32N2O3.2C19H27N3O2.C19H28N2O3.C18H28N2O2.C16H24N2O2.C14H20O4/c1-14-16-6-7-17-18(21-15(2)22(17)10-5-11-23-4)19(16,3)8-9-20(14)24-12-13-25-20;1-12-15-6-7-16-18(21-13(2)22(16)8-5-9-23-4)19(15,3)10-14-11-20-24-17(12)14;1-12-14-7-8-16-18(19(14,3)11-15(20-4)17(12)23)21-13(2)22(16)9-6-10-24-5;1-12-15-6-7-16-18(19(15,3)10-14(11-22)17(12)23)20-13(2)21(16)8-5-9-24-4;1-12-14-6-7-15-17(18(14,3)9-8-16(12)21)19-13(2)20(15)10-5-11-22-4;1-10-12-4-5-13-14(18-11(2)17-13)15(12,3)6-7-16(10)19-8-9-20-16;1-9-10-3-4-11(15)12(16)13(10,2)5-6-14(9)17-7-8-18-14/h14,16H,5-13H2,1-4H3;11-12,15H,5-10H2,1-4H3;12,14-15H,6-11H2,1-3,5H3;11-12,15,22H,5-10H2,1-4H3;12,14H,5-11H2,1-4H3;10,12H,4-9H2,1-3H3,(H,17,18);4,9-10,15H,3,5-8H2,1-2H3/b;;;14-11-;;;/t14-,16-,19-;12-,15-,19-;12-,14-,15?,19-;12-,15-,19-;12-,14-,18-;10-,12-,15-;9-,10-,13-/m0000000/s1
• InChIKey: AUCDQBHELHTLDH-KQSDIYFXSA-N
• XLogP: 20.62
• TPSA: 358.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.94
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]?

The IUPAC name of (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole] (CID 157230976) is (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole].

What is the SMILES notation for (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]?

The canonical SMILES for (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole] is COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)/C(=C\O)C[C@]21C.COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C(=O)CC[C@]21C.COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)C3(CC[C@]21C)OCCO3.COCCCn1c(C)nc2c1CC[C@H]1[C@H](C)c3oncc3C[C@]21C.C[C@H]1[C@@H]2CC=C(O)C(=O)[C@@]2(C)CCC12OCCO2.Cc1nc2c([nH]1)CC[C@H]1[C@H](C)C3(CC[C@]21C)OCCO3.[C-]#[N+]C1C[C@]2(C)c3nc(C)n(CCCOC)c3CC[C@H]2[C@H](C)C1=O.

What is the InChIKey of (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]?

The InChIKey is AUCDQBHELHTLDH-KQSDIYFXSA-N. The full InChI is InChI=1S/C20H32N2O3.2C19H27N3O2.C19H28N2O3.C18H28N2O2.C16H24N2O2.C14H20O4/c1-14-16-6-7-17-18(21-15(2)22(17)10-5-11-23-4)19(16,3)8-9-20(14)24-12-13-25-20;1-12-15-6-7-16-18(21-13(2)22(16)8-5-9-23-4)19(15,3)10-14-11-20-24-17(12)14;1-12-14-7-8-16-18(19(14,3)11-15(20-4)17(12)23)21-13(2)22(16)9-6-10-24-5;1-12-15-6-7-16-18(19(15,3)10-14(11-22)17(12)23)20-13(2)21(16)8-5-9-24-4;1-12-14-6-7-15-17(18(14,3)9-8-16(12)21)19-13(2)20(15)10-5-11-22-4;1-10-12-4-5-13-14(18-11(2)17-13)15(12,3)6-7-16(10)19-8-9-20-16;1-9-10-3-4-11(15)12(16)13(10,2)5-6-14(9)17-7-8-18-14/h14,16H,5-13H2,1-4H3;11-12,15H,5-10H2,1-4H3;12,14-15H,6-11H2,1-3,5H3;11-12,15,22H,5-10H2,1-4H3;12,14H,5-11H2,1-4H3;10,12H,4-9H2,1-3H3,(H,17,18);4,9-10,15H,3,5-8H2,1-2H3/b;;;14-11-;;;/t14-,16-,19-;12-,15-,19-;12-,14-,15?,19-;12-,15-,19-;12-,14-,18-;10-,12-,15-;9-,10-,13-/m0000000/s1.

What are the key properties of (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole]?

(5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole] has a molecular weight of 2172.94 g/mol, XLogP of 20.62, 20 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5'aS,6'S,9'aS)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydro-3H-benzo[e]benzimidazole];(4'aS,5'S,8'aS)-2'-hydroxy-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-4H-naphthalene]-1'-one;(5aS,6S,8Z,9aS)-8-(hydroxymethylidene)-3-(3-methoxypropyl)-2,6,9a-trimethyl-5,5a,6,9-tetrahydro-4H-benzo[e]benzimidazol-7-one;(5aS,6S,9aS)-8-isocyano-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,9aS)-3-(3-methoxypropyl)-2,6,9a-trimethyl-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazol-7-one;(5aS,6S,10aS)-3-(3-methoxypropyl)-2,6,10a-trimethyl-5,5a,6,10-tetrahydro-4H-benzimidazolo[4,5-f][1,2]benzoxazole;(5'aS,6'S,9'aS)-3'-(3-methoxypropyl)-2',6',9'a-trimethylspiro[1,3-dioxolane-2,7'-4,5,5a,6,8,9-hexahydrobenzo[e]benzimidazole] is sourced from PubChem (CID 157230976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).