tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane

C30H52Si2 — CID 4712672

IUPACtert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CC(=C(C#C[Si](C)(C)C(C)(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H52Si2/c1-29(2,3)31(7,8)23-21-27(25-17-13-11-14-18-25)28(26-19-15-12-16-20-26)22-24-32(9,10)30(4,5)6/h25-26H,11-20H2,1-10H3
InChIKeyWWCXGBJGJGPIID-UHFFFAOYSA-N
MW468.92 g/mol
LogP9.55
Rot. Bonds2

About tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane

tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane (PubChem CID 4712672) has the molecular formula C30H52Si2 and a molecular weight of 468.92 g/mol. Its IUPAC name is tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
PubChem CID4712672
Molecular FormulaC30H52Si2
Molecular Weight468.92 g/mol
Exact Mass468.36
IUPAC Nametert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)C#CC(=C(C#C[Si](C)(C)C(C)(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H52Si2/c1-29(2,3)31(7,8)23-21-27(25-17-13-11-14-18-25)28(26-19-15-12-16-20-26)22-24-32(9,10)30(4,5)6/h25-26H,11-20H2,1-10H3
InChIKeyWWCXGBJGJGPIID-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 59.55
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

Tert-butyl-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
Tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
CID 135007250
[3-(4,4-Dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10881642
[(Z)-3-(cyclohexylmethyl)undec-3-en-1-ynyl]-trimethylsilane
CID 150454688
[(3E)-3-(cyclohexylmethylidene)undec-1-ynyl]-trimethylsilane
CID 153984739
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
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
Trimethyl-[2-[3-[4-[3-(2-trimethylsilylethynyl)-2-bicyclo[2.2.2]oct-2-enyl]buta-1,3-diynyl]-2-bicyclo[2.2.2]oct-2-enyl]ethynyl]silane
CID 10695054

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane (CID 4712672) is tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane is CC(C)(C)[Si](C)(C)C#CC(=C(C#C[Si](C)(C)C(C)(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane?
The InChIKey is WWCXGBJGJGPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52Si2/c1-29(2,3)31(7,8)23-21-27(25-17-13-11-14-18-25)28(26-19-15-12-16-20-26)22-24-32(9,10)30(4,5)6/h25-26H,11-20H2,1-10H3.
What are the key properties of tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane?
tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane has a molecular weight of 468.92 g/mol, XLogP of 9.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-[tert-butyl(dimethyl)silyl]-3,4-dicyclohexylhex-3-en-1,5-diynyl]-dimethylsilane is sourced from PubChem (CID 4712672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).