[3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane

C40H62Si2 — CID 101194213

IUPAC[3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C40H62Si2/c1-31(2)41(32(3)4,33(5)6)29-27-39(37-21-15-13-16-22-37)25-19-20-26-40(38-23-17-14-18-24-38)28-30-42(34(7)8,35(9)10)36(11)12/h31-36H,13-18,21-24H2,1-12H3
InChIKeyOYULTKZUDOETTJ-UHFFFAOYSA-N
MW599.11 g/mol
LogP11.96
Rot. Bonds6

About [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane

[3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane (PubChem CID 101194213) has the molecular formula C40H62Si2 and a molecular weight of 599.11 g/mol. Its IUPAC name is [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
PubChem CID101194213
Molecular FormulaC40H62Si2
Molecular Weight599.11 g/mol
Exact Mass598.44
IUPAC Name[3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC(C#CC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1CCCCC1)=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C40H62Si2/c1-31(2)41(32(3)4,33(5)6)29-27-39(37-21-15-13-16-22-37)25-19-20-26-40(38-23-17-14-18-24-38)28-30-42(34(7)8,35(9)10)36(11)12/h31-36H,13-18,21-24H2,1-12H3
InChIKeyOYULTKZUDOETTJ-UHFFFAOYSA-N
XLogP11.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.11
LogP ≤ 511.96
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
[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
trimethyl-[2-[(1Z,5Z)-2,5,6-tris(2-trimethylsilylethynyl)cycloocta-1,5-dien-1-yl]ethynyl]silane
CID 15266021
(3-Cyclohexylidene-5-trimethylsilylpenta-1,4-diynyl)-trimethylsilane
CID 10684806
Tert-butyl-(3-cyclohexylidenepenta-1,4-diynyl)-dimethylsilane
CID 11708690
[(E)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 11827786
[3-[4-[1,5-Bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]cyclohexylidene]-5-tri(propan-2-yl)silylpenta-1,4-diynyl]-tri(propan-2-yl)silane
CID 15363828
7,7-Ditert-butyl-8-[2-(7,7-ditert-butyl-7-silabicyclo[4.2.0]oct-1(8)-en-8-yl)ethynyl]-7-silabicyclo[4.2.0]oct-1(8)-ene
CID 15534917
[3,4-Dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 57373168
[(Z)-3,4-dicyclohexyl-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 100967830
Tri(propan-2-yl)-[3,8,13-tri(cyclohexylidene)-15-tri(propan-2-yl)silylpentadeca-1,4,6,9,11,14-hexaynyl]silane
CID 101194212

Frequently Asked Questions

What is the IUPAC name of [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane (CID 101194213) is [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC(C#CC#CC(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 [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
The InChIKey is OYULTKZUDOETTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H62Si2/c1-31(2)41(32(3)4,33(5)6)29-27-39(37-21-15-13-16-22-37)25-19-20-26-40(38-23-17-14-18-24-38)28-30-42(34(7)8,35(9)10)36(11)12/h31-36H,13-18,21-24H2,1-12H3.
What are the key properties of [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane?
[3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane has a molecular weight of 599.11 g/mol, XLogP of 11.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,8-di(cyclohexylidene)-10-tri(propan-2-yl)silyldeca-1,4,6,9-tetraynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 101194213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).