[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C28H44Si2 — CID 11373977

IUPAC[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H44Si2/c1-15-27(17-19-29(21(3)4,22(5)6)23(7)8)28(16-2)18-20-30(24(9)10,25(11)12)26(13)14/h1-2,21-26H,3-14H3/b28-27+
InChIKeyREYVQTKHVBATQK-BYYHNAKLSA-N
MW436.83 g/mol
LogP7.99
Rot. Bonds6

About [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 11373977) has the molecular formula C28H44Si2 and a molecular weight of 436.83 g/mol. Its IUPAC name is [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID11373977
Molecular FormulaC28H44Si2
Molecular Weight436.83 g/mol
Exact Mass436.30
IUPAC Name[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESC#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C)C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C28H44Si2/c1-15-27(17-19-29(21(3)4,22(5)6)23(7)8)28(16-2)18-20-30(24(9)10,25(11)12)26(13)14/h1-2,21-26H,3-14H3/b28-27+
InChIKeyREYVQTKHVBATQK-BYYHNAKLSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.83
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1'-[3,4-Bis[2-(trimethylsilyl)ethynyl]-3-hexene-2,5-diyne-1,6-diyl]bis[1,1,1-trimethylsilane]
CID 11122510
[4-Methyl-3-[2-tri(propan-2-yl)silylethynyl]pent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 11133507
[4-Ethynyl-3-[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14908282
Trimethyl-[4-methyl-3-(2-trimethylsilylethynyl)pent-3-en-1-ynyl]silane
CID 15372543
Silane, (2,3-bis(trimethylsilyl)methyl)-2-butene-1,4-diyl)bis(trimethyl-
CID 144042
(3-Ethynyl-4-((triisopropylsilyl)ethynyl)hexa-3-EN-1,5-diyne-1,6-diyl)bis(triisopropylsilane)
CID 14935769
1,6-Bis-(triisopropylsilyl)-3,4-bis[2-(triisopropylsilyl)ethynyl]-3-hexen-1,5-diyne
CID 2756755
[5,10-Di(propan-2-ylidene)-14-tri(propan-2-yl)silyltetradeca-1,3,6,8,11,13-hexaynyl]-tri(propan-2-yl)silane
CID 11017218
Trimethyl-(5-propan-2-ylidene-9-trimethylsilylnona-1,3,6,8-tetraynyl)silane
CID 11066401
Trimethyl-[10-trimethylsilyl-5,6-bis(4-trimethylsilylbuta-1,3-diynyl)dec-5-en-1,3,7,9-tetraynyl]silane
CID 12124859
[(Z)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 14937102
tri(propan-2-yl)-[2-[(1Z,7Z)-2,7,8-tris[2-tri(propan-2-yl)silylethynyl]cyclododeca-1,7-dien-3,5,9,11-tetrayn-1-yl]ethynyl]silane
CID 15196660

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 11373977) is [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is C#C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(/C#C)C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is REYVQTKHVBATQK-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H44Si2/c1-15-27(17-19-29(21(3)4,22(5)6)23(7)8)28(16-2)18-20-30(24(9)10,25(11)12)26(13)14/h1-2,21-26H,3-14H3/b28-27+.
What are the key properties of [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 436.83 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-diethynyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 11373977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).