[(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

C25H44OSi — CID 87495316

IUPAC[(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/C=C(\C/C=C/C)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C
InChIInChI=1S/C25H44OSi/c1-9-11-14-20(15-12-10-2)21-17-18-22-23(16-13-19-25(21,22)6)26-27(7,8)24(3,4)5/h9-12,14,21-23H,13,15-19H2,1-8H3/b11-9+,12-10+,20-14+/t21-,22+,23+,25-/m0/s1
InChIKeyYDZKASDXCYJKHS-KWEUCRNESA-N
MW388.71 g/mol
LogP8.06
Rot. Bonds6

About [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane

[(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 87495316) has the molecular formula C25H44OSi and a molecular weight of 388.71 g/mol. Its IUPAC name is [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID87495316
Molecular FormulaC25H44OSi
Molecular Weight388.71 g/mol
Exact Mass388.32
IUPAC Name[(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
SMILESC/C=C/C=C(\C/C=C/C)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C
InChIInChI=1S/C25H44OSi/c1-9-11-14-20(15-12-10-2)21-17-18-22-23(16-13-19-25(21,22)6)26-27(7,8)24(3,4)5/h9-12,14,21-23H,13,15-19H2,1-8H3/b11-9+,12-10+,20-14+/t21-,22+,23+,25-/m0/s1
InChIKeyYDZKASDXCYJKHS-KWEUCRNESA-N
XLogP8.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.71
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane (CID 87495316) is [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is C/C=C/C=C(\C/C=C/C)[C@@H]1CC[C@@H]2[C@H](O[Si](C)(C)C(C)(C)C)CCC[C@]21C.
What is the InChIKey of [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YDZKASDXCYJKHS-KWEUCRNESA-N. The full InChI is InChI=1S/C25H44OSi/c1-9-11-14-20(15-12-10-2)21-17-18-22-23(16-13-19-25(21,22)6)26-27(7,8)24(3,4)5/h9-12,14,21-23H,13,15-19H2,1-8H3/b11-9+,12-10+,20-14+/t21-,22+,23+,25-/m0/s1.
What are the key properties of [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane?
[(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 388.71 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,4R,7aS)-7a-methyl-1-[(2E,4E,7E)-nona-2,4,7-trien-5-yl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87495316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).