[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane

C20H38Si4 — CID 11828192

IUPAC[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(=C[Si](C)(C)C)C(=C=C=C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H38Si4/c1-21(2,3)16-13-14-20(24(10,11)12)19(18-23(7,8)9)15-17-22(4,5)6/h16,18H,1-12H3/b19-18?,20-16-
InChIKeySTGGMGIEXDDXPN-ZUUIPTIXSA-N
MW390.87 g/mol
LogP6.66
Rot. Bonds4

About [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane

[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane (PubChem CID 11828192) has the molecular formula C20H38Si4 and a molecular weight of 390.87 g/mol. Its IUPAC name is [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane.

Molecular Properties

Compound Name[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane
PubChem CID11828192
Molecular FormulaC20H38Si4
Molecular Weight390.87 g/mol
Exact Mass390.21
IUPAC Name[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane
SMILESC[Si](C)(C)C#CC(=C[Si](C)(C)C)C(=C=C=C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H38Si4/c1-21(2,3)16-13-14-20(24(10,11)12)19(18-23(7,8)9)15-17-22(4,5)6/h16,18H,1-12H3/b19-18?,20-16-
InChIKeySTGGMGIEXDDXPN-ZUUIPTIXSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 56.66
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[3,4-Dimethylidene-6-tri(propan-2-yl)silylhexa-1,5-diynyl]-tri(propan-2-yl)silane
CID 10835624
Tri(propan-2-yl)-[4-tri(propan-2-yl)silylhexa-4,5-dien-1-ynyl]silane
CID 10363007
Tris(2-methylpropyl)-[4-[tris(2-methylpropyl)silyl]hexa-4,5-dien-1-ynyl]silane
CID 10390165
trimethyl-[(3Z,4Z)-6-trimethylsilyl-3,4-bis(trimethylsilylmethylidene)hexa-1,5-diynyl]silane
CID 11429239
(3,4-Dimethylidene-6-trimethylsilylhexa-1,5-diynyl)-trimethylsilane
CID 15191381
trimethyl-[(1Z)-3-trimethylsilyl-2-(2-trimethylsilylethynyl)buta-1,3-dienyl]silane
CID 135062174
[3-(Difluoromethylidene)-5-trimethylsilylpent-1-en-4-yn-2-yl]-tri(propan-2-yl)silane
CID 11290829
Trimethyl-[5-trimethylsilyl-3-(2-trimethylsilylethynyl)penta-1,2-dien-4-ynyl]silane
CID 11779829
1,1-Dimethyl-2,5-bis(trimethylsilyl)-3,4-diethynyl-1-sila-2,4-cyclopentadiene
CID 102064386
[(1Z,3Z)-1,4-diiodo-2-methyl-4-trimethylsilylbuta-1,3-dienyl]-trimethylsilane;[(Z)-1-iodo-2-methyl-4-trimethylsilylbut-1-en-3-ynyl]-trimethylsilane
CID 162004534
Tert-butyl-[4-[tert-butyl(dimethyl)silyl]hexa-4,5-dien-1-ynyl]-dimethylsilane
CID 10267182
[4,4,9,9,14,14-Hexamethyl-5,8,15-tris(trimethylsilyl)-4,9,14-trisilabicyclo[10.3.0]pentadeca-1(15),5,6,7,12-pentaen-2,10-diyn-13-yl]-trimethylsilane
CID 10930123

Frequently Asked Questions

What is the IUPAC name of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane?
The IUPAC name of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane (CID 11828192) is [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane.
What is the SMILES notation for [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane?
The canonical SMILES for [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane is C[Si](C)(C)C#CC(=C[Si](C)(C)C)C(=C=C=C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane?
The InChIKey is STGGMGIEXDDXPN-ZUUIPTIXSA-N. The full InChI is InChI=1S/C20H38Si4/c1-21(2,3)16-13-14-20(24(10,11)12)19(18-23(7,8)9)15-17-22(4,5)6/h16,18H,1-12H3/b19-18?,20-16-.
What are the key properties of [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane?
[3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane has a molecular weight of 390.87 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-bis(trimethylsilyl)-2-(2-trimethylsilylethynyl)hexa-1,3,4,5-tetraenyl]-trimethylsilane is sourced from PubChem (CID 11828192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).