tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane

C20H44Si3 — CID 153492761

IUPACtert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane
SMILESCC(=C(\C)[Si](C)(C)C)/C(=C(/C)C[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H44Si3/c1-16(15-23(13,14)20(4,5)6)19(22(10,11)12)17(2)18(3)21(7,8)9/h15H2,1-14H3/b18-17-,19-16+
InChIKeyRDTIMDGTRDNPNZ-XTCPURHUSA-N
MW368.83 g/mol
LogP7.90
Rot. Bonds5

About tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane

tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane (PubChem CID 153492761) has the molecular formula C20H44Si3 and a molecular weight of 368.83 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane
PubChem CID153492761
Molecular FormulaC20H44Si3
Molecular Weight368.83 g/mol
Exact Mass368.28
IUPAC Nametert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane
SMILESCC(=C(\C)[Si](C)(C)C)/C(=C(/C)C[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C20H44Si3/c1-16(15-23(13,14)20(4,5)6)19(22(10,11)12)17(2)18(3)21(7,8)9/h15H2,1-14H3/b18-17-,19-16+
InChIKeyRDTIMDGTRDNPNZ-XTCPURHUSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.83
LogP ≤ 57.90
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'}

Analyze tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane with MolForge

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Related Compounds

1,1,4,5-Tetramethyl-2,2-bis(trimethylsilyl)-1,2,3,6-tetrahydrosiline
CID 12732192
1,1,2,2-Tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane
CID 15327904
Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
Lithium [[3,5-bis[bis(trimethylsilyl)methyl]benzene-4-id-1-yl]-trimethylsilylmethyl]-trimethylsilane
CID 11060749
[(4E,6E)-5,6-dimethyl-7-trimethylsilyldeca-1,4,6,9-tetraen-4-yl]-trimethylsilane
CID 11781753
Trimethyl-[2-[2,3,4-tris(trimethylsilyl)cyclobuta-1,3-dien-1-yl]ethynyl]silane
CID 13573337
1-(Tris(trimethylsilyl)silyl]-2,3,4,5-tetramethyl-1-germa-2,4-cyclopentadiene
CID 15329679
Trimethyl-[3-trimethylsilyl-2,4-bis(2-trimethylsilylethynyl)cyclobuta-1,3-dien-1-yl]silane
CID 15912758
CID 21677193
CID 21677193
6-(Di-t-butylmethylsilyl)-1,1,3,4-tetramethyl-6-(trimethylgermyl)-1-silacyclohex-3-ene
CID 129828250
CID 134870964
CID 134870964
CID 134892586
CID 134892586

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane (CID 153492761) is tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane is CC(=C(\C)[Si](C)(C)C)/C(=C(/C)C[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane?
The InChIKey is RDTIMDGTRDNPNZ-XTCPURHUSA-N. The full InChI is InChI=1S/C20H44Si3/c1-16(15-23(13,14)20(4,5)6)19(22(10,11)12)17(2)18(3)21(7,8)9/h15H2,1-14H3/b18-17-,19-16+.
What are the key properties of tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane?
tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane has a molecular weight of 368.83 g/mol, XLogP of 7.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4Z)-2,4-dimethyl-3,5-bis(trimethylsilyl)hexa-2,4-dienyl]-dimethylsilane is sourced from PubChem (CID 153492761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).