lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol

C43H67LiO3Si — CID 161187682

IUPAClithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol
SMILESC/C(=C/CC(CCCCO)c1ccccc1)CCC(CCO)c1ccccc1.CCc1ccccc1.[CH2-]CCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C26H36O2.C9H21OSi.C8H10.Li/c1-22(16-18-26(19-21-28)24-12-6-3-7-13-24)15-17-25(14-8-9-20-27)23-10-4-2-5-11-23;1-7-8-10-11(5,6)9(2,3)4;1-2-8-6-4-3-5-7-8;/h2-7,10-13,15,25-28H,8-9,14,16-21H2,1H3;1,7-8H2,2-6H3;3-7H,2H2,1H3;/q;-1;;+1/b22-15-;;;
InChIKeyDQGPCDQBWHAUMJ-LUZQOSRASA-N
MW667.03 g/mol
LogP8.70
Rot. Bonds17

About lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol

lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol (PubChem CID 161187682) has the molecular formula C43H67LiO3Si and a molecular weight of 667.03 g/mol. Its IUPAC name is lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol.

Molecular Properties

Compound Namelithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol
PubChem CID161187682
Molecular FormulaC43H67LiO3Si
Molecular Weight667.03 g/mol
Exact Mass666.50
IUPAC Namelithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol
SMILESC/C(=C/CC(CCCCO)c1ccccc1)CCC(CCO)c1ccccc1.CCc1ccccc1.[CH2-]CCO[Si](C)(C)C(C)(C)C.[Li+]
InChIInChI=1S/C26H36O2.C9H21OSi.C8H10.Li/c1-22(16-18-26(19-21-28)24-12-6-3-7-13-24)15-17-25(14-8-9-20-27)23-10-4-2-5-11-23;1-7-8-10-11(5,6)9(2,3)4;1-2-8-6-4-3-5-7-8;/h2-7,10-13,15,25-28H,8-9,14,16-21H2,1H3;1,7-8H2,2-6H3;3-7H,2H2,1H3;/q;-1;;+1/b22-15-;;;
InChIKeyDQGPCDQBWHAUMJ-LUZQOSRASA-N
XLogP8.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.03
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol with MolForge

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Related Compounds

tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
3-phenylundecan-1-ol
CID 101150144
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol
CID 153444054
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
3,6-diphenylhexan-1-ol
CID 54360227
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol?
The IUPAC name of lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol (CID 161187682) is lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol.
What is the SMILES notation for lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol?
The canonical SMILES for lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol is C/C(=C/CC(CCCCO)c1ccccc1)CCC(CCO)c1ccccc1.CCc1ccccc1.[CH2-]CCO[Si](C)(C)C(C)(C)C.[Li+].
What is the InChIKey of lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol?
The InChIKey is DQGPCDQBWHAUMJ-LUZQOSRASA-N. The full InChI is InChI=1S/C26H36O2.C9H21OSi.C8H10.Li/c1-22(16-18-26(19-21-28)24-12-6-3-7-13-24)15-17-25(14-8-9-20-27)23-10-4-2-5-11-23;1-7-8-10-11(5,6)9(2,3)4;1-2-8-6-4-3-5-7-8;/h2-7,10-13,15,25-28H,8-9,14,16-21H2,1H3;1,7-8H2,2-6H3;3-7H,2H2,1H3;/q;-1;;+1/b22-15-;;;.
What are the key properties of lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol?
lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol has a molecular weight of 667.03 g/mol, XLogP of 8.70, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol is sourced from PubChem (CID 161187682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).