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

C36H64Si2 — CID 11827786

IUPAC[(E)-3,4-dicyclohexyl-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)C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C36H64Si2/c1-27(2)37(28(3)4,29(5)6)25-23-35(33-19-15-13-16-20-33)36(34-21-17-14-18-22-34)24-26-38(30(7)8,31(9)10)32(11)12/h27-34H,13-22H2,1-12H3/b36-35+
InChIKeyQJUGJYROAYWOTJ-ULDVOPSXSA-N
MW553.08 g/mol
LogP11.89
Rot. Bonds8

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

[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 11827786) has the molecular formula C36H64Si2 and a molecular weight of 553.08 g/mol. Its IUPAC name is [(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID11827786
Molecular FormulaC36H64Si2
Molecular Weight553.08 g/mol
Exact Mass552.45
IUPAC Name[(E)-3,4-dicyclohexyl-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)C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C36H64Si2/c1-27(2)37(28(3)4,29(5)6)25-23-35(33-19-15-13-16-20-33)36(34-21-17-14-18-22-34)24-26-38(30(7)8,31(9)10)32(11)12/h27-34H,13-22H2,1-12H3/b36-35+
InChIKeyQJUGJYROAYWOTJ-ULDVOPSXSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.08
LogP ≤ 511.89
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

[6,12-Di(cyclohexylidene)-16-methyl-3,9-di(propan-2-ylidene)-15-(2-trimethylsilylethynyl)heptadec-15-en-1,4,7,10,13-pentaynyl]-trimethylsilane
CID 134901393
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
[(Z)-3-(cyclohexylmethyl)undec-3-en-1-ynyl]-trimethylsilane
CID 150454688
[(3E)-3-(cyclohexylmethylidene)undec-1-ynyl]-trimethylsilane
CID 153984739
cyclohexyl-dimethyl-[(1R,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;cyclohexyl-dimethyl-[(1S,4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]silane;ethane;propane
CID 158449192
3-(Cyclohexylmethylidene)undec-1-ynyl-trimethylsilane
CID 174858692
3-(Cyclohexylmethyl)undec-3-en-1-ynyl-trimethylsilane
CID 174858693
3,4-Dicyclohexy-1,6-bis(tert-butyldimethylsilyl)-3-hexen-1,5-diyne
CID 2758232
Tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
CID 4712672
trimethyl-[3-[(2Z)-2-tridec-5-yn-7-ylidenecyclohexyl]prop-1-ynyl]silane
CID 10571233
Trimethyl-[2-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10685655
[3-(2-Adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10688552

Frequently Asked Questions

What is the IUPAC name of [(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 11827786) is [(E)-3,4-dicyclohexyl-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-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-3,4-dicyclohexyl-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)C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is QJUGJYROAYWOTJ-ULDVOPSXSA-N. The full InChI is InChI=1S/C36H64Si2/c1-27(2)37(28(3)4,29(5)6)25-23-35(33-19-15-13-16-20-33)36(34-21-17-14-18-22-34)24-26-38(30(7)8,31(9)10)32(11)12/h27-34H,13-22H2,1-12H3/b36-35+.
What are the key properties of [(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 553.08 g/mol, XLogP of 11.89, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 11827786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).