lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane

C26H29LiOSi — CID 177390908

IUPAClithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C(=[C-]/c2ccccc2)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C26H29OSi.Li/c1-26(2,3)28(4,5)27-24-18-16-23(17-19-24)25(22-14-10-7-11-15-22)20-21-12-8-6-9-13-21;/h6-19H,1-5H3;/q-1;+1
InChIKeyQPNSAMZFMVXQFF-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.36
Rot. Bonds5

About lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane

lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane (PubChem CID 177390908) has the molecular formula C26H29LiOSi and a molecular weight of 392.54 g/mol. Its IUPAC name is lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane
PubChem CID177390908
Molecular FormulaC26H29LiOSi
Molecular Weight392.54 g/mol
Exact Mass392.21
IUPAC Namelithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(/C(=[C-]/c2ccccc2)c2ccccc2)cc1.[Li+]
InChIInChI=1S/C26H29OSi.Li/c1-26(2,3)28(4,5)27-24-18-16-23(17-19-24)25(22-14-10-7-11-15-22)20-21-12-8-6-9-13-21;/h6-19H,1-5H3;/q-1;+1
InChIKeyQPNSAMZFMVXQFF-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium tert-butyl-(2,2-diphenylethenoxy)-dimethylsilane
CID 10448479
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
CID 59857614
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylbutan-1-one
CID 70670904
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-phenylmethanone
CID 91744472
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]aniline
CID 154489620
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane?
The IUPAC name of lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane (CID 177390908) is lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(/C(=[C-]/c2ccccc2)c2ccccc2)cc1.[Li+].
What is the InChIKey of lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane?
The InChIKey is QPNSAMZFMVXQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29OSi.Li/c1-26(2,3)28(4,5)27-24-18-16-23(17-19-24)25(22-14-10-7-11-15-22)20-21-12-8-6-9-13-21;/h6-19H,1-5H3;/q-1;+1.
What are the key properties of lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane?
lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane has a molecular weight of 392.54 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[4-(1,2-diphenylethenyl)phenoxy]-dimethylsilane is sourced from PubChem (CID 177390908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).