(E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one

C35H56O5Si — CID 10745881

About (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one

(E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one (PubChem CID 10745881) has the molecular formula C35H56O5Si and a molecular weight of 584.91 g/mol. Its IUPAC name is (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one.

Molecular Properties

• Compound Name: (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one
• PubChem CID: 10745881
• Molecular Formula: C35H56O5Si
• Molecular Weight: 584.91 g/mol
• Exact Mass: 584.39
• IUPAC Name: (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one
• SMILES: C=CCOc1cc(C(C)(C)CCCCCC)cc(O)c1C(=O)CC(O)CC/C=C(\C)C#CCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C35H56O5Si/c1-11-13-14-15-21-35(7,8)28-24-30(37)33(32(25-28)39-22-12-2)31(38)26-29(36)20-16-18-27(3)19-17-23-40-41(9,10)34(4,5)6/h12,18,24-25,29,36-37H,2,11,13-16,20-23,26H2,1,3-10H3/b27-18+
• InChIKey: AWVUWHNBZSJVBK-OVVQPSECSA-N
• XLogP: 8.89
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.91
LogP ≤ 5	8.89
H-Bond Donors ≤ 5	2
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one?

The IUPAC name of (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one (CID 10745881) is (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one.

What is the SMILES notation for (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one?

The canonical SMILES for (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one is C=CCOc1cc(C(C)(C)CCCCCC)cc(O)c1C(=O)CC(O)CC/C=C(\C)C#CCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one?

The InChIKey is AWVUWHNBZSJVBK-OVVQPSECSA-N. The full InChI is InChI=1S/C35H56O5Si/c1-11-13-14-15-21-35(7,8)28-24-30(37)33(32(25-28)39-22-12-2)31(38)26-29(36)20-16-18-27(3)19-17-23-40-41(9,10)34(4,5)6/h12,18,24-25,29,36-37H,2,11,13-16,20-23,26H2,1,3-10H3/b27-18+.

What are the key properties of (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one?

(E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one has a molecular weight of 584.91 g/mol, XLogP of 8.89, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-10-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-[2-hydroxy-4-(2-methyloctan-2-yl)-6-prop-2-enoxyphenyl]-7-methyldec-6-en-8-yn-1-one is sourced from PubChem (CID 10745881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).