[3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane

C34H76Si8 — CID 134949816

IUPAC[3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane
SMILESC[Si](C)(C)C(=CC(C=C([Si](C)(C)C)[Si](C)(C)C)=C(C=C([Si](C)(C)C)[Si](C)(C)C)C=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H76Si8/c1-35(2,3)31(36(4,5)6)25-29(26-32(37(7,8)9)38(10,11)12)30(27-33(39(13,14)15)40(16,17)18)28-34(41(19,20)21)42(22,23)24/h25-28H,1-24H3
InChIKeySNSWTZAJVZDMLN-UHFFFAOYSA-N
MW709.67 g/mol
LogP13.01
Rot. Bonds12

About [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane

[3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane (PubChem CID 134949816) has the molecular formula C34H76Si8 and a molecular weight of 709.67 g/mol. Its IUPAC name is [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane.

Molecular Properties

Compound Name[3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane
PubChem CID134949816
Molecular FormulaC34H76Si8
Molecular Weight709.67 g/mol
Exact Mass708.41
IUPAC Name[3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane
SMILESC[Si](C)(C)C(=CC(C=C([Si](C)(C)C)[Si](C)(C)C)=C(C=C([Si](C)(C)C)[Si](C)(C)C)C=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H76Si8/c1-35(2,3)31(36(4,5)6)25-29(26-32(37(7,8)9)38(10,11)12)30(27-33(39(13,14)15)40(16,17)18)28-34(41(19,20)21)42(22,23)24/h25-28H,1-24H3
InChIKeySNSWTZAJVZDMLN-UHFFFAOYSA-N
XLogP13.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.67
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(4E,6E)-5,6-dimethyl-7-trimethylsilyldeca-1,4,6,9-tetraen-4-yl]-trimethylsilane
CID 11781753
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
1,3,5-Cycloheptatriene, 3,4,7,7-tetramethyl-2,5-bis(trimethylsilyl)-
CID 553398
[2,3-Bis[tert-butyl(dimethyl)silyl]cyclopenta-1,3-dien-1-yl]-tert-butyl-dimethylsilane
CID 23286652
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]cyclopenta-1,4-dien-1-yl]-dimethylsilane
CID 53662021
[8,15,16,23,24,31,32-Heptakis[tri(propan-2-yl)silyl]-7-pentacyclo[28.2.0.06,9.014,17.022,25]dotriaconta-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23,25,26,27,28,29,31-tetracosaenyl]-tri(propan-2-yl)silane
CID 101023058
[8,15,16,23,24-Pentakis[tri(propan-2-yl)silyl]-7-tetracyclo[20.2.0.06,9.014,17]tetracosa-1,2,3,4,5,7,9,10,11,12,13,15,17,18,19,20,21,23-octadecaenyl]-tri(propan-2-yl)silane
CID 101023060
trimethyl-[(2Z)-3-methyl-4-trimethylsilylpenta-2,4-dien-2-yl]silane
CID 101112082
CID 101551345
CID 101551345
CID 102135319
CID 102135319
trimethyl-[(1E,5E)-6-trimethylsilyl-3,4-bis[(E)-2-trimethylsilylethenyl]hexa-1,3,5-trienyl]silane
CID 102138044
[[3,5-Bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane
CID 102146663

Frequently Asked Questions

What is the IUPAC name of [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane?
The IUPAC name of [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane (CID 134949816) is [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane.
What is the SMILES notation for [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane?
The canonical SMILES for [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane is C[Si](C)(C)C(=CC(C=C([Si](C)(C)C)[Si](C)(C)C)=C(C=C([Si](C)(C)C)[Si](C)(C)C)C=C([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane?
The InChIKey is SNSWTZAJVZDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H76Si8/c1-35(2,3)31(36(4,5)6)25-29(26-32(37(7,8)9)38(10,11)12)30(27-33(39(13,14)15)40(16,17)18)28-34(41(19,20)21)42(22,23)24/h25-28H,1-24H3.
What are the key properties of [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane?
[3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane has a molecular weight of 709.67 g/mol, XLogP of 13.01, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[2,2-bis(trimethylsilyl)ethenyl]-1,6,6-tris(trimethylsilyl)hexa-1,3,5-trienyl]-trimethylsilane is sourced from PubChem (CID 134949816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).