lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride

C26H63LiO12SSi4 — CID 173214345

IUPAClithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
SMILESCCO[Si](OCC)(OCC)C(SC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.[H-].[Li+]
InChIInChI=1S/C26H62O12SSi4.Li.H/c1-13-27-40(28-14-2,29-15-3)25(41(30-16-4,31-17-5)32-18-6)39-26(42(33-19-7,34-20-8)35-21-9)43(36-22-10,37-23-11)38-24-12;;/h25-26H,13-24H2,1-12H3;;/q;+1;-1
InChIKeyJYGJPBHODIKIGB-UHFFFAOYSA-N
MW719.13 g/mol
LogP1.92
Rot. Bonds30

About lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride

lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride (PubChem CID 173214345) has the molecular formula C26H63LiO12SSi4 and a molecular weight of 719.13 g/mol. Its IUPAC name is lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride.

Molecular Properties

Compound Namelithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
PubChem CID173214345
Molecular FormulaC26H63LiO12SSi4
Molecular Weight719.13 g/mol
Exact Mass718.33
IUPAC Namelithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
SMILESCCO[Si](OCC)(OCC)C(SC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.[H-].[Li+]
InChIInChI=1S/C26H62O12SSi4.Li.H/c1-13-27-40(28-14-2,29-15-3)25(41(30-16-4,31-17-5)32-18-6)39-26(42(33-19-7,34-20-8)35-21-9)43(36-22-10,37-23-11)38-24-12;;/h25-26H,13-24H2,1-12H3;;/q;+1;-1
InChIKeyJYGJPBHODIKIGB-UHFFFAOYSA-N
XLogP1.92
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.13
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
[1-[1,2-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropan-2-yl]-triethoxysilane
CID 102409474
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
1-triethoxysilylpropyl thiohypochlorite
CID 175012038
triethoxy(5-methylhexan-3-yl)silane
CID 175575145
1-triethoxysilyl-N-trimethylsilylethanamine
CID 89350066
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840
1-dimethylphosphorylethyl(triethoxy)silane
CID 175367716
lithium bis(triethoxysilyl)methanesulfonic acid
CID 22283870
1-[ethoxy(dimethyl)silyl]ethanethiol
CID 163407239
diethoxy-di(propan-2-yl)silane
CID 14048564

Frequently Asked Questions

What is the IUPAC name of lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride?
The IUPAC name of lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride (CID 173214345) is lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride.
What is the SMILES notation for lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride?
The canonical SMILES for lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride is CCO[Si](OCC)(OCC)C(SC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.[H-].[Li+].
What is the InChIKey of lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride?
The InChIKey is JYGJPBHODIKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H62O12SSi4.Li.H/c1-13-27-40(28-14-2,29-15-3)25(41(30-16-4,31-17-5)32-18-6)39-26(42(33-19-7,34-20-8)35-21-9)43(36-22-10,37-23-11)38-24-12;;/h25-26H,13-24H2,1-12H3;;/q;+1;-1.
What are the key properties of lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride?
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride has a molecular weight of 719.13 g/mol, XLogP of 1.92, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride is sourced from PubChem (CID 173214345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).