methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate

C24H40O5Si — CID 16732375

About methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate

methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate (PubChem CID 16732375) has the molecular formula C24H40O5Si and a molecular weight of 436.67 g/mol. Its IUPAC name is methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate.

Molecular Properties

• Compound Name: methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate
• PubChem CID: 16732375
• Molecular Formula: C24H40O5Si
• Molecular Weight: 436.67 g/mol
• Exact Mass: 436.26
• IUPAC Name: methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate
• SMILES: COC(=O)C[C@@H](CC/C(C)=C\COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H40O5Si/c1-19(15-16-28-18-20-10-13-21(26-5)14-11-20)9-12-22(17-23(25)27-6)29-30(7,8)24(2,3)4/h10-11,13-15,22H,9,12,16-18H2,1-8H3/b19-15-/t22-/m1/s1
• InChIKey: ZULYBFFYMOHCDN-JXTFVVQCSA-N
• XLogP: 5.89
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.67
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
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 methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate?

The IUPAC name of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate (CID 16732375) is methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate.

What is the SMILES notation for methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate?

The canonical SMILES for methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate is COC(=O)C[C@@H](CC/C(C)=C\COCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate?

The InChIKey is ZULYBFFYMOHCDN-JXTFVVQCSA-N. The full InChI is InChI=1S/C24H40O5Si/c1-19(15-16-28-18-20-10-13-21(26-5)14-11-20)9-12-22(17-23(25)27-6)29-30(7,8)24(2,3)4/h10-11,13-15,22H,9,12,16-18H2,1-8H3/b19-15-/t22-/m1/s1.

What are the key properties of methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate?

methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate has a molecular weight of 436.67 g/mol, XLogP of 5.89, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (Z,3R)-3-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]-6-methyloct-6-enoate is sourced from PubChem (CID 16732375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).