[3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane

C29H52Si2 — CID 101194215

IUPAC[3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C29H52Si2/c1-22(2)30(23(3)4,24(5)6)20-18-29(28-16-14-13-15-17-28)19-21-31(25(7)8,26(9)10)27(11)12/h22-27H,13-17H2,1-12H3
InChIKeySHTZRTZWCQTOLN-UHFFFAOYSA-N
MW456.91 g/mol
LogP9.69
Rot. Bonds6

About [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane

[3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane (PubChem CID 101194215) has the molecular formula C29H52Si2 and a molecular weight of 456.91 g/mol. Its IUPAC name is [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
PubChem CID101194215
Molecular FormulaC29H52Si2
Molecular Weight456.91 g/mol
Exact Mass456.36
IUPAC Name[3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C29H52Si2/c1-22(2)30(23(3)4,24(5)6)20-18-29(28-16-14-13-15-17-28)19-21-31(25(7)8,26(9)10)27(11)12/h22-27H,13-17H2,1-12H3
InChIKeySHTZRTZWCQTOLN-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.91
LogP ≤ 59.69
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

[3-[4-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 15363827
trimethyl-[(2E,6E)-2,3,6,7-tetramethyl-8-trimethylsilylocta-2,6-dienyl]silane
CID 23630571
Trimethyl-[3-(2-trimethylsilylethynyl)tridec-3-en-1-ynyl]silane
CID 85843910
[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
trimethyl-[(E)-3-propyl-4-trimethylsilyloct-3-en-1-ynyl]silane
CID 134963826
Triethyl-[6-(2-trimethylsilylcyclopropen-1-yl)hexa-1,3-diynyl]silane
CID 134997996
[3,9-Di(cyclohexylidene)-6-propan-2-ylidene-11-trimethylsilylundeca-1,4,7,10-tetraynyl]-trimethylsilane
CID 135046217
Triethyl-[5-(2-trimethylsilylcyclopropen-1-yl)pent-1-ynyl]silane
CID 164665543
(3-Cyclohexylidene-3-fluoroprop-1-ynyl)-tri(propan-2-yl)silane
CID 10589926
trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
CID 15266021
Trimethyl-(2,3,5,6-tetramethyl-4-trimethylsilylcyclohexa-2,5-dien-1-yl)silane
CID 140048006
[(Z)-3-butyl-4-ethyldec-3-en-1,5-diynyl]-trimethylsilane
CID 10017015

Frequently Asked Questions

What is the IUPAC name of [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane (CID 101194215) is [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
The InChIKey is SHTZRTZWCQTOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52Si2/c1-22(2)30(23(3)4,24(5)6)20-18-29(28-16-14-13-15-17-28)19-21-31(25(7)8,26(9)10)27(11)12/h22-27H,13-17H2,1-12H3.
What are the key properties of [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane?
[3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane has a molecular weight of 456.91 g/mol, XLogP of 9.69, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexylidene-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101194215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).