tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane

C32H47FO5Si — CID 59482136

IUPACtert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane
SMILESCOc1ccc(COCC/C(C)=C(/F)C(/C=C\CCO[Si](C)(C)C(C)(C)C)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H47FO5Si/c1-25(20-22-36-23-26-12-16-28(34-5)17-13-26)31(33)30(37-24-27-14-18-29(35-6)19-15-27)11-9-10-21-38-39(7,8)32(2,3)4/h9,11-19,30H,10,20-24H2,1-8H3/b11-9-,31-25+
InChIKeyBSRJQTZXWZIOFO-GACUKYEXSA-N
MW558.81 g/mol
LogP8.41
Rot. Bonds16

About tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane

tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane (PubChem CID 59482136) has the molecular formula C32H47FO5Si and a molecular weight of 558.81 g/mol. Its IUPAC name is tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane
PubChem CID59482136
Molecular FormulaC32H47FO5Si
Molecular Weight558.81 g/mol
Exact Mass558.32
IUPAC Nametert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane
SMILESCOc1ccc(COCC/C(C)=C(/F)C(/C=C\CCO[Si](C)(C)C(C)(C)C)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H47FO5Si/c1-25(20-22-36-23-26-12-16-28(34-5)17-13-26)31(33)30(37-24-27-14-18-29(35-6)19-15-27)11-9-10-21-38-39(7,8)32(2,3)4/h9,11-19,30H,10,20-24H2,1-8H3/b11-9-,31-25+
InChIKeyBSRJQTZXWZIOFO-GACUKYEXSA-N
XLogP8.41
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.81
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane (CID 59482136) is tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane is COc1ccc(COCC/C(C)=C(/F)C(/C=C\CCO[Si](C)(C)C(C)(C)C)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane?
The InChIKey is BSRJQTZXWZIOFO-GACUKYEXSA-N. The full InChI is InChI=1S/C32H47FO5Si/c1-25(20-22-36-23-26-12-16-28(34-5)17-13-26)31(33)30(37-24-27-14-18-29(35-6)19-15-27)11-9-10-21-38-39(7,8)32(2,3)4/h9,11-19,30H,10,20-24H2,1-8H3/b11-9-,31-25+.
What are the key properties of tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane?
tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane has a molecular weight of 558.81 g/mol, XLogP of 8.41, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3Z,6E)-6-fluoro-5,9-bis[(4-methoxyphenyl)methoxy]-7-methylnona-3,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 59482136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).