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

C32H60Si2 — CID 100967827

IUPAC[(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H60Si2/c1-23(2)33(24(3)4,25(5)6)21-19-29(31(13,14)15)30(32(16,17)18)20-22-34(26(7)8,27(9)10)28(11)12/h23-28H,1-18H3/b30-29+
InChIKeyWIWQXVHIRSPARQ-QVIHXGFCSA-N
MW501.00 g/mol
LogP10.82
Rot. Bonds6

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

[(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 100967827) has the molecular formula C32H60Si2 and a molecular weight of 501.00 g/mol. Its IUPAC name is [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID100967827
Molecular FormulaC32H60Si2
Molecular Weight501.00 g/mol
Exact Mass500.42
IUPAC Name[(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H60Si2/c1-23(2)33(24(3)4,25(5)6)21-19-29(31(13,14)15)30(32(16,17)18)20-22-34(26(7)8,27(9)10)28(11)12/h23-28H,1-18H3/b30-29+
InChIKeyWIWQXVHIRSPARQ-QVIHXGFCSA-N
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.00
LogP ≤ 510.82
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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Launch Full Analysis

Related Compounds

Tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane
CID 101212827
[(E)-3,4-di(propan-2-yl)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11113489
[3,5,8,10,15,17,20,22-Octatert-butyl-24-tri(propan-2-yl)silyltetracosa-3,4,8,9,15,16,20,21-octaen-1,6,11,13,18,23-hexaynyl]-tri(propan-2-yl)silane
CID 12167049
[(Z)-3,4-di(propan-2-yl)-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967825
2-(3,3-Dimethyl-2-trimethylsilylcyclopropen-1-yl)ethynyl-trimethylsilane
CID 21601811
(3,5-Ditert-butyl-7-trimethylsilylhepta-3,4-dien-1,6-diynyl)-tri(propan-2-yl)silane
CID 12167042
[(Z)-3,4-diethyl-6-trimethylsilylhex-3-en-1,5-diynyl]-trimethylsilane
CID 15448262
[(E)-3,4-diethyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 15448263
[(Z)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 15448264
Tri(propan-2-yl)-(3,5,10,12-tetratert-butyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl)silane
CID 16754262
[3,5,10,12,17,19,24,26,31,33,38,40-Dodecatert-butyl-42-tri(propan-2-yl)silyldotetraconta-3,4,10,11,17,18,24,25,31,32,38,39-dodecaen-1,6,8,13,15,20,22,27,29,34,36,41-dodecaynyl]-tri(propan-2-yl)silane
CID 16754263
[3,5,10,12,17,19,24,26,31,33,38,40,45,47,52,54-Hexadecatert-butyl-56-tri(propan-2-yl)silylhexapentaconta-3,4,10,11,17,18,24,25,31,32,38,39,45,46,52,53-hexadecaen-1,6,8,13,15,20,22,27,29,34,36,41,43,48,50,55-hexadecaynyl]-tri(propan-2-yl)silane
CID 16754264

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 100967827) is [(E)-3,4-ditert-butyl-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-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#C/C(=C(/C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is WIWQXVHIRSPARQ-QVIHXGFCSA-N. The full InChI is InChI=1S/C32H60Si2/c1-23(2)33(24(3)4,25(5)6)21-19-29(31(13,14)15)30(32(16,17)18)20-22-34(26(7)8,27(9)10)28(11)12/h23-28H,1-18H3/b30-29+.
What are the key properties of [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 501.00 g/mol, XLogP of 10.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-ditert-butyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 100967827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).