(E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol

C35H68O5Si2 — CID 11365602

About (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol

(E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol (PubChem CID 11365602) has the molecular formula C35H68O5Si2 and a molecular weight of 625.10 g/mol. Its IUPAC name is (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol.

Molecular Properties

• Compound Name: (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol
• PubChem CID: 11365602
• Molecular Formula: C35H68O5Si2
• Molecular Weight: 625.10 g/mol
• Exact Mass: 624.46
• IUPAC Name: (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol
• SMILES: CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCOC2CCCCO2)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C35H68O5Si2/c1-12-13-15-20-28(36)23-24-30-29(21-16-14-18-25-37-33-22-17-19-26-38-33)31(39-41(8,9)34(2,3)4)27-32(30)40-42(10,11)35(5,6)7/h14,16,23-24,28-33,36H,12-13,15,17-22,25-27H2,1-11H3/b16-14-,24-23+/t28-,29-,30+,31-,32+,33?/m0/s1
• InChIKey: XNSQZAAJRGVLHV-VVHQXRNPSA-N
• XLogP: 9.78
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.10
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol?

The IUPAC name of (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol (CID 11365602) is (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol.

What is the SMILES notation for (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol?

The canonical SMILES for (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol is CCCCC[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCOC2CCCCO2)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol?

The InChIKey is XNSQZAAJRGVLHV-VVHQXRNPSA-N. The full InChI is InChI=1S/C35H68O5Si2/c1-12-13-15-20-28(36)23-24-30-29(21-16-14-18-25-37-33-22-17-19-26-38-33)31(39-41(8,9)34(2,3)4)27-32(30)40-42(10,11)35(5,6)7/h14,16,23-24,28-33,36H,12-13,15,17-22,25-27H2,1-11H3/b16-14-,24-23+/t28-,29-,30+,31-,32+,33?/m0/s1.

What are the key properties of (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol?

(E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol has a molecular weight of 625.10 g/mol, XLogP of 9.78, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E,3S)-1-[(1R,2S,3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oct-1-en-3-ol is sourced from PubChem (CID 11365602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).