(2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol

C28H48O2Si — CID 89057209

About (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol

(2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol (PubChem CID 89057209) has the molecular formula C28H48O2Si and a molecular weight of 444.78 g/mol. Its IUPAC name is (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
• PubChem CID: 89057209
• Molecular Formula: C28H48O2Si
• Molecular Weight: 444.78 g/mol
• Exact Mass: 444.34
• IUPAC Name: (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
• SMILES: C=C1CC[C@H](CC(C)(C)[Si](C)(C)O)C/C1=C\C=C1/CCC[C@@]2(C)C1CCC2[C@H](C)CO
• InChI: InChI=1S/C28H48O2Si/c1-20-10-11-22(18-27(3,4)31(6,7)30)17-24(20)13-12-23-9-8-16-28(5)25(21(2)19-29)14-15-26(23)28/h12-13,21-22,25-26,29-30H,1,8-11,14-19H2,2-7H3/b23-12+,24-13+/t21-,22+,25?,26?,28-/m1/s1
• InChIKey: QTQMQGRREQEGFQ-VPTXEXFTSA-N
• XLogP: 7.41
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.78
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

The IUPAC name of (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol (CID 89057209) is (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol.

What is the SMILES notation for (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

The canonical SMILES for (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol is C=C1CC[C@H](CC(C)(C)[Si](C)(C)O)C/C1=C\C=C1/CCC[C@@]2(C)C1CCC2[C@H](C)CO.

What is the InChIKey of (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

The InChIKey is QTQMQGRREQEGFQ-VPTXEXFTSA-N. The full InChI is InChI=1S/C28H48O2Si/c1-20-10-11-22(18-27(3,4)31(6,7)30)17-24(20)13-12-23-9-8-16-28(5)25(21(2)19-29)14-15-26(23)28/h12-13,21-22,25-26,29-30H,1,8-11,14-19H2,2-7H3/b23-12+,24-13+/t21-,22+,25?,26?,28-/m1/s1.

What are the key properties of (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol?

(2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol has a molecular weight of 444.78 g/mol, XLogP of 7.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(4E,7aR)-4-[(2E)-2-[(5S)-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol is sourced from PubChem (CID 89057209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).