sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate

C102H183NaO14 — CID 161384805

About sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate

sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate (PubChem CID 161384805) has the molecular formula C102H183NaO14 and a molecular weight of 1656.56 g/mol. Its IUPAC name is sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate.

Molecular Properties

• Compound Name: sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate
• PubChem CID: 161384805
• Molecular Formula: C102H183NaO14
• Molecular Weight: 1656.56 g/mol
• Exact Mass: 1655.35
• IUPAC Name: sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate
• SMILES: CC.CC.CC(=O)OC[C@@H](C)[C@H]1CCC2C(O)CCC[C@@]21C.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)C=O.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)CO.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)C=O.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CO.C[C@H](C=O)[C@H]1CCC2C(=O)CCC[C@@]21C.C[C@H](CO)[C@H]1CCC2C(O)CCC[C@@]21C.O=CO[O-].[Na+]
• InChI: InChI=1S/C15H26O3.2C14H26O.2C14H24O.C13H24O2.C13H20O2.2C2H6.CH2O3.Na/c1-10(9-18-11(2)16)12-6-7-13-14(17)5-4-8-15(12,13)3;4*1-10-5-4-8-14(3)12(10)6-7-13(14)11(2)9-15;2*1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2;2*1-2;2-1-4-3;/h10,12-14,17H,4-9H2,1-3H3;2*10-13,15H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;9-12,14-15H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*1-2H3;1,3H;/q;;;;;;;;;;+1/p-1/t10-,12-,13?,14?,15-;10?,11-,12?,13+,14-;10?,11-,12?,13-,14+;10?,11-,12?,13+,14-;10?,11-,12?,13-,14+;9-,10-,11?,12?,13-;9-,10-,11?,13-;;;;/m1010111..../s1
• InChIKey: VSERNDHZYFRZTJ-BYQHUMASSA-M
• XLogP: 19.34
• TPSA: 245.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.56
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate?

The IUPAC name of sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate (CID 161384805) is sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate.

What is the SMILES notation for sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate?

The canonical SMILES for sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate is CC.CC.CC(=O)OC[C@@H](C)[C@H]1CCC2C(O)CCC[C@@]21C.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)C=O.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)CO.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)C=O.CC1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CO.C[C@H](C=O)[C@H]1CCC2C(=O)CCC[C@@]21C.C[C@H](CO)[C@H]1CCC2C(O)CCC[C@@]21C.O=CO[O-].[Na+].

What is the InChIKey of sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate?

The InChIKey is VSERNDHZYFRZTJ-BYQHUMASSA-M. The full InChI is InChI=1S/C15H26O3.2C14H26O.2C14H24O.C13H24O2.C13H20O2.2C2H6.CH2O3.Na/c1-10(9-18-11(2)16)12-6-7-13-14(17)5-4-8-15(12,13)3;4*1-10-5-4-8-14(3)12(10)6-7-13(14)11(2)9-15;2*1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2;2*1-2;2-1-4-3;/h10,12-14,17H,4-9H2,1-3H3;2*10-13,15H,4-9H2,1-3H3;2*9-13H,4-8H2,1-3H3;9-12,14-15H,3-8H2,1-2H3;8-11H,3-7H2,1-2H3;2*1-2H3;1,3H;/q;;;;;;;;;;+1/p-1/t10-,12-,13?,14?,15-;10?,11-,12?,13+,14-;10?,11-,12?,13-,14+;10?,11-,12?,13+,14-;10?,11-,12?,13-,14+;9-,10-,11?,12?,13-;9-,10-,11?,13-;;;;/m1010111..../s1.

What are the key properties of sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate?

sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate has a molecular weight of 1656.56 g/mol, XLogP of 19.34, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propanal;(2R)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aS)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propan-1-ol;(2S)-2-[(1R,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanal;[(2S)-2-[(1R,7aR)-4-hydroxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl] acetate;(1R,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol;ethane;oxido formate is sourced from PubChem (CID 161384805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).