2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane

C23H36OSi — CID 102078481

IUPAC2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane
SMILESC=CCCOc1c(C#C[Si](C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C23H36OSi/c1-11-12-14-24-21-18(13-15-25(8,9)10)16-19(22(2,3)4)17-20(21)23(5,6)7/h11,16-17H,1,12,14H2,2-10H3
InChIKeyBLPIOAJGKWRFGX-UHFFFAOYSA-N
MW356.63 g/mol
LogP6.47
Rot. Bonds4

About 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane

2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane (PubChem CID 102078481) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane
PubChem CID102078481
Molecular FormulaC23H36OSi
Molecular Weight356.63 g/mol
Exact Mass356.25
IUPAC Name2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane
SMILESC=CCCOc1c(C#C[Si](C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C23H36OSi/c1-11-12-14-24-21-18(13-15-25(8,9)10)16-19(22(2,3)4)17-20(21)23(5,6)7/h11,16-17H,1,12,14H2,2-10H3
InChIKeyBLPIOAJGKWRFGX-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloro-(3,5-ditert-butyl-2-prop-2-enoxyphenyl)-dimethylsilane
CID 18347404
2-[3,6-ditert-butyl-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050031
1-but-3-enoxy-4-tert-butylbenzene
CID 42600781
5,11,17,23,29-pentatert-butyl-31,32,33,34,35-pentakis(prop-2-enoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene
CID 14932372
4-[5-tert-butyl-2-[16-[4-tert-butyl-2-(4-trimethylsilylbuta-1,3-diynyl)phenoxy]hexadecoxy]phenyl]buta-1,3-diynyl-trimethylsilane
CID 11600243
2-but-3-enoxy-5-[1-(4-but-3-enoxy-3,5-dichlorophenyl)-1-phenylethyl]-1,3-dichlorobenzene
CID 59168479
1,3-dibromo-2-but-3-enoxy-5-[1-(3,5-dibromo-4-but-3-enoxyphenyl)-1-phenylethyl]benzene
CID 59168498
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
CID 134900930
trimethyl-[2-(11,20,25,34,39-pentatert-butyl-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4(41),5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39-henicosaenyl)ethynyl]silane
CID 45277154
4-but-3-enoxy-3-tert-butylbenzenesulfonamide
CID 82915270
1,5-ditert-butyl-2-(3-fluoropropoxy)-3-iodobenzene
CID 11079706

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane (CID 102078481) is 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane is C=CCCOc1c(C#C[Si](C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane?
The InChIKey is BLPIOAJGKWRFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36OSi/c1-11-12-14-24-21-18(13-15-25(8,9)10)16-19(22(2,3)4)17-20(21)23(5,6)7/h11,16-17H,1,12,14H2,2-10H3.
What are the key properties of 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane?
2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane has a molecular weight of 356.63 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-enoxy-3,5-ditert-butylphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 102078481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).