lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane

C27H59LiSi6 — CID 11060749

IUPAClithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1[c-]c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C27H59Si6.Li/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;/h19-20,25-27H,1-18H3;/q-1;+1
InChIKeyGJJGFQBSOIOPJU-UHFFFAOYSA-N
MW559.23 g/mol
LogP7.01
Rot. Bonds9

About lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane

lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane (PubChem CID 11060749) has the molecular formula C27H59LiSi6 and a molecular weight of 559.23 g/mol. Its IUPAC name is lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane.

Molecular Properties

Compound Namelithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane
PubChem CID11060749
Molecular FormulaC27H59LiSi6
Molecular Weight559.23 g/mol
Exact Mass558.34
IUPAC Namelithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane
SMILESC[Si](C)(C)C(c1[c-]c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C27H59Si6.Li/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;/h19-20,25-27H,1-18H3;/q-1;+1
InChIKeyGJJGFQBSOIOPJU-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.23
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl[1-(1-methylethenyl)-1-butenyl]-, (E)-
CID 5366644
[(4E,6E)-5,6-dimethyl-7-trimethylsilyldeca-1,4,6,9-tetraen-4-yl]-trimethylsilane
CID 11781753
[3,5-Bis(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane
CID 14175465
Trimethyl-[10,17,20-tris(trimethylsilyl)-7-tricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaenyl]silane
CID 101721547
[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
CID 134979229
[(3E,6E)-6-cyclohexa-2,4-dien-1-ylidene-3-methylhexa-1,3-dien-2-yl]-triethylsilane
CID 146163039
1,3,5-Cycloheptatriene, 2,4,7,7-tetramethyl-2,4-bis(trimethylsilyl)-
CID 552112
1,3,5-Cycloheptatriene, 3,4,7,7-tetramethyl-2,5-bis(trimethylsilyl)-
CID 553398
1,3,5-Cycloheptatriene, 7,7-dimethyl-2,5-bis(trimethylsilylmethyl)-
CID 553420
1,3,5-Cycloheptatriene, 7,7-dimethyl-2,4-bis(trimethylsilylmethyl)-
CID 553421
Bis(trimethylsilyl)methyl-[[1,1-dimethyl-6,6-bis(trimethylsilyl)-2,5-dihydrosilin-3-yl]methyl]-dimethylsilane
CID 15695361
Dimethyl-bis[(3-trimethylsilylcyclopenta-1,3-dien-1-yl)methyl]silane
CID 19023875

Frequently Asked Questions

What is the IUPAC name of lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane?
The IUPAC name of lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane (CID 11060749) is lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane.
What is the SMILES notation for lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane?
The canonical SMILES for lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane is C[Si](C)(C)C(c1[c-]c(C([Si](C)(C)C)[Si](C)(C)C)cc(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C.[Li+].
What is the InChIKey of lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane?
The InChIKey is GJJGFQBSOIOPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59Si6.Li/c1-28(2,3)25(29(4,5)6)22-19-23(26(30(7,8)9)31(10,11)12)21-24(20-22)27(32(13,14)15)33(16,17)18;/h19-20,25-27H,1-18H3;/q-1;+1.
What are the key properties of lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane?
lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane has a molecular weight of 559.23 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane is sourced from PubChem (CID 11060749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).