(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol

C24H46O5Si — CID 53248148

About (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol (PubChem CID 53248148) has the molecular formula C24H46O5Si and a molecular weight of 442.71 g/mol. Its IUPAC name is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol.

Molecular Properties

• Compound Name: (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol
• PubChem CID: 53248148
• Molecular Formula: C24H46O5Si
• Molecular Weight: 442.71 g/mol
• Exact Mass: 442.31
• IUPAC Name: (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol
• SMILES: C=C[C@@]1(C)CC[C@H]([C@@H](O)CC[C@@](C)(C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)O1
• InChI: InChI=1S/C24H46O5Si/c1-11-23(7)15-13-20(28-23)19(25)12-14-24(8,29-30(9,10)21(2,3)4)16-18-17-26-22(5,6)27-18/h11,18-20,25H,1,12-17H2,2-10H3/t18-,19+,20-,23+,24+/m1/s1
• InChIKey: LDRPZMCFSJASLP-YBROWDRVSA-N
• XLogP: 5.57
• TPSA: 57.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.71
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol?

The IUPAC name of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol (CID 53248148) is (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol.

What is the SMILES notation for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol?

The canonical SMILES for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol is C=C[C@@]1(C)CC[C@H]([C@@H](O)CC[C@@](C)(C[C@@H]2COC(C)(C)O2)O[Si](C)(C)C(C)(C)C)O1.

What is the InChIKey of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol?

The InChIKey is LDRPZMCFSJASLP-YBROWDRVSA-N. The full InChI is InChI=1S/C24H46O5Si/c1-11-23(7)15-13-20(28-23)19(25)12-14-24(8,29-30(9,10)21(2,3)4)16-18-17-26-22(5,6)27-18/h11,18-20,25H,1,12-17H2,2-10H3/t18-,19+,20-,23+,24+/m1/s1.

What are the key properties of (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol?

(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol has a molecular weight of 442.71 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]-4-methylpentan-1-ol is sourced from PubChem (CID 53248148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).