(Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol

C33H54O3Si2 — CID 58750459

About (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol

(Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol (PubChem CID 58750459) has the molecular formula C33H54O3Si2 and a molecular weight of 554.96 g/mol. Its IUPAC name is (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol.

Molecular Properties

• Compound Name: (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol
• PubChem CID: 58750459
• Molecular Formula: C33H54O3Si2
• Molecular Weight: 554.96 g/mol
• Exact Mass: 554.36
• IUPAC Name: (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol
• SMILES: C[C@H](C/C=C\C(O)[C@@H](C)CCCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C33H54O3Si2/c1-27(19-18-26-35-37(9,10)32(3,4)5)31(34)25-17-20-28(2)36-38(33(6,7)8,29-21-13-11-14-22-29)30-23-15-12-16-24-30/h11-17,21-25,27-28,31,34H,18-20,26H2,1-10H3/b25-17-/t27-,28+,31?/m0/s1
• InChIKey: CSHJYSLQKQRWFD-RLWSAIONSA-N
• XLogP: 7.70
• TPSA: 38.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.96
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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 (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol?

The IUPAC name of (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol (CID 58750459) is (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol.

What is the SMILES notation for (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol?

The canonical SMILES for (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol is C[C@H](C/C=C\C(O)[C@@H](C)CCCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol?

The InChIKey is CSHJYSLQKQRWFD-RLWSAIONSA-N. The full InChI is InChI=1S/C33H54O3Si2/c1-27(19-18-26-35-37(9,10)32(3,4)5)31(34)25-17-20-28(2)36-38(33(6,7)8,29-21-13-11-14-22-29)30-23-15-12-16-24-30/h11-17,21-25,27-28,31,34H,18-20,26H2,1-10H3/b25-17-/t27-,28+,31?/m0/s1.

What are the key properties of (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol?

(Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol has a molecular weight of 554.96 g/mol, XLogP of 7.70, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol is sourced from PubChem (CID 58750459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).