tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane

C32H64O3Si — CID 58346376

About tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane

tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane (PubChem CID 58346376) has the molecular formula C32H64O3Si and a molecular weight of 524.95 g/mol. Its IUPAC name is tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane
• PubChem CID: 58346376
• Molecular Formula: C32H64O3Si
• Molecular Weight: 524.95 g/mol
• Exact Mass: 524.46
• IUPAC Name: tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane
• SMILES: CC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OCOC)C(C)CC
• InChI: InChI=1S/C32H64O3Si/c1-16-18-19-25(5)28(8)29(9)31(35-36(14,15)32(10,11)12)27(7)21-23(3)20-26(6)30(24(4)17-2)34-22-33-13/h18-20,24-31H,16-17,21-22H2,1-15H3/b19-18-,23-20-/t24?,25?,26-,27-,28-,29+,30-,31+/m0/s1
• InChIKey: WJJINRPHNUUCFP-CMQUNNIYSA-N
• XLogP: 9.90
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.95
LogP ≤ 5	9.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane (CID 58346376) is tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane is CC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OCOC)C(C)CC.

What is the InChIKey of tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane?

The InChIKey is WJJINRPHNUUCFP-CMQUNNIYSA-N. The full InChI is InChI=1S/C32H64O3Si/c1-16-18-19-25(5)28(8)29(9)31(35-36(14,15)32(10,11)12)27(7)21-23(3)20-26(6)30(24(4)17-2)34-22-33-13/h18-20,24-31H,16-17,21-22H2,1-15H3/b19-18-,23-20-/t24?,25?,26-,27-,28-,29+,30-,31+/m0/s1.

What are the key properties of tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane?

tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane has a molecular weight of 524.95 g/mol, XLogP of 9.90, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3Z,6S,7R,8R,9S,11Z,13S,14S)-14-(methoxymethoxy)-5,6,7,9,11,13,15-heptamethylheptadeca-3,11-dien-8-yl]oxy-dimethylsilane is sourced from PubChem (CID 58346376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).