tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane

C23H42Si — CID 135007250

IUPACtert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
SMILESCCCCC#CC(=C1CCC(C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42Si/c1-10-11-12-13-14-21(24(8,9)23(5,6)7)19-15-17-20(18-16-19)22(2,3)4/h20H,10-12,15-18H2,1-9H3/b21-19-
InChIKeyBMXORDCAJPEYFM-VZCXRCSSSA-N
MW346.68 g/mol
LogP7.76
Rot. Bonds3

About tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane

tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane (PubChem CID 135007250) has the molecular formula C23H42Si and a molecular weight of 346.68 g/mol. Its IUPAC name is tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
PubChem CID135007250
Molecular FormulaC23H42Si
Molecular Weight346.68 g/mol
Exact Mass346.31
IUPAC Nametert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane
SMILESCCCCC#CC(=C1CCC(C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42Si/c1-10-11-12-13-14-21(24(8,9)23(5,6)7)19-15-17-20(18-16-19)22(2,3)4/h20H,10-12,15-18H2,1-9H3/b21-19-
InChIKeyBMXORDCAJPEYFM-VZCXRCSSSA-N
XLogP7.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.68
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Tert-butylcyclohexen-1-yl)ethynyl-trimethylsilane
CID 10823617
Tert-butyl-[3-(4-tert-butylcyclohexylidene)hept-1-ynyl]-dimethylsilane
CID 11290962
[2-(4-Tert-butylcyclohexylidene)-3-trimethylsilylpropyl]-trimethylsilane
CID 102154705
[3-(4,4-Dimethylcyclohexylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10881642
8-(4-Tert-butylcyclohexen-1-yl)octa-1,7-diynyl-tri(propan-2-yl)silane
CID 11475033
2-[(1S,2S,4aS)-1-butyl-1-methyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-4a-yl]ethynyl-trimethylsilane
CID 58388173
2-[(1S,2S,4aS)-1-methyl-2-propan-2-yl-1-propyl-2,3,4,5,6,7-hexahydronaphthalen-4a-yl]ethynyl-trimethylsilane
CID 58388229
Trimethyl-[2-(2,6,6-trimethylcyclohexen-1-yl)ethynyl]silane
CID 68606595
2-(2,6-Dimethylcyclohexen-1-yl)ethynyl-trimethylsilane
CID 68608975
[(2R)-4-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-yn-2-yl]-trimethylsilane
CID 139775018
[(Z)-3-(cyclohexylmethyl)undec-3-en-1-ynyl]-trimethylsilane
CID 150454688
[(3E)-3-(cyclohexylmethylidene)undec-1-ynyl]-trimethylsilane
CID 153984739

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane (CID 135007250) is tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane is CCCCC#CC(=C1CCC(C(C)(C)C)CC1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane?
The InChIKey is BMXORDCAJPEYFM-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H42Si/c1-10-11-12-13-14-21(24(8,9)23(5,6)7)19-15-17-20(18-16-19)22(2,3)4/h20H,10-12,15-18H2,1-9H3/b21-19-.
What are the key properties of tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane?
tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane has a molecular weight of 346.68 g/mol, XLogP of 7.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(4-tert-butylcyclohexylidene)hept-2-ynyl]-dimethylsilane is sourced from PubChem (CID 135007250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).