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

C34H62O3Si2 — CID 58887406

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

(2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol (PubChem CID 58887406) has the molecular formula C34H62O3Si2 and a molecular weight of 575.04 g/mol. Its IUPAC name is (2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-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-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
• PubChem CID: 58887406
• Molecular Formula: C34H62O3Si2
• Molecular Weight: 575.04 g/mol
• Exact Mass: 574.42
• IUPAC Name: (2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol
• SMILES: C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=C/C=C2\CCC[C@@]3(C)C2CCC3[C@H](C)CO)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H62O3Si2/c1-24(23-35)28-18-19-29-27(15-14-20-34(28,29)9)17-16-26-21-30(36-38(10,11)32(3,4)5)25(2)31(22-26)37-39(12,13)33(6,7)8/h16-17,24,28-31,35H,2,14-15,18-23H2,1,3-13H3/b27-17+/t24-,28?,29?,30-,31-,34-/m1/s1
• InChIKey: ZXCQFLDGAPJKMO-SYOOWXGKSA-N
• XLogP: 9.81
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.04
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 (2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-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-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol (CID 58887406) is (2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-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-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-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-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol is C=C1[C@H](O[Si](C)(C)C(C)(C)C)CC(=C/C=C2\CCC[C@@]3(C)C2CCC3[C@H](C)CO)C[C@H]1O[Si](C)(C)C(C)(C)C.

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

The InChIKey is ZXCQFLDGAPJKMO-SYOOWXGKSA-N. The full InChI is InChI=1S/C34H62O3Si2/c1-24(23-35)28-18-19-29-27(15-14-20-34(28,29)9)17-16-26-21-30(36-38(10,11)32(3,4)5)25(2)31(22-26)37-39(12,13)33(6,7)8/h16-17,24,28-31,35H,2,14-15,18-23H2,1,3-13H3/b27-17+/t24-,28?,29?,30-,31-,34-/m1/s1.

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

(2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol has a molecular weight of 575.04 g/mol, XLogP of 9.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propan-1-ol is sourced from PubChem (CID 58887406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).