3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol

C23H44O2Si — CID 10339769

About 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol

3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol (PubChem CID 10339769) has the molecular formula C23H44O2Si and a molecular weight of 380.69 g/mol. Its IUPAC name is 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol
• PubChem CID: 10339769
• Molecular Formula: C23H44O2Si
• Molecular Weight: 380.69 g/mol
• Exact Mass: 380.31
• IUPAC Name: 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol
• SMILES: CC(C)[Si](O[C@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CCCO)[C@@H]12)(C(C)C)C(C)C
• InChI: InChI=1S/C23H44O2Si/c1-16(2)26(17(3)4,18(5)6)25-22-12-8-10-20-14-13-19(7)21(23(20)22)11-9-15-24/h13-14,16-24H,8-12,15H2,1-7H3/t19-,20+,21-,22-,23-/m0/s1
• InChIKey: TVUOBCAQRJZESB-SPHOGXRMSA-N
• XLogP: 6.56
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.69
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol?

The IUPAC name of 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol (CID 10339769) is 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol.

What is the SMILES notation for 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol?

The canonical SMILES for 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol is CC(C)[Si](O[C@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CCCO)[C@@H]12)(C(C)C)C(C)C.

What is the InChIKey of 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol?

The InChIKey is TVUOBCAQRJZESB-SPHOGXRMSA-N. The full InChI is InChI=1S/C23H44O2Si/c1-16(2)26(17(3)4,18(5)6)25-22-12-8-10-20-14-13-19(7)21(23(20)22)11-9-15-24/h13-14,16-24H,8-12,15H2,1-7H3/t19-,20+,21-,22-,23-/m0/s1.

What are the key properties of 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol?

3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol has a molecular weight of 380.69 g/mol, XLogP of 6.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1S,2S,4aR,8S,8aS)-2-methyl-8-tri(propan-2-yl)silyloxy-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propan-1-ol is sourced from PubChem (CID 10339769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).