2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane

C18H34OSi — CID 134887198

IUPAC2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
SMILESC/C=C/CC(CC#CCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-8-10-12-13-15-17(14-11-9-2)16-19-20(6,7)18(3,4)5/h9,11,17H,8,10,14-16H2,1-7H3/b11-9+
InChIKeyPSRGTWHQXRPHBH-PKNBQFBNSA-N
MW294.56 g/mol
LogP5.78
Rot. Bonds7

About 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane

2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane (PubChem CID 134887198) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
PubChem CID134887198
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane
SMILESC/C=C/CC(CC#CCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-8-10-12-13-15-17(14-11-9-2)16-19-20(6,7)18(3,4)5/h9,11,17H,8,10,14-16H2,1-7H3/b11-9+
InChIKeyPSRGTWHQXRPHBH-PKNBQFBNSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+/-)-Lavandulol, TBDMS derivative
CID 14845988
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(2E,5S)-5-methyl-7-tributylstannylocta-2,7-dienoxy]silane
CID 24865146
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
(e)-t-Butyl(dimethyl)(tetradec-3-ene-8,11-diyn-1-yloxy)silane
CID 132280318
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349
tert-butyl-[(E)-dodec-10-en-5-ynoxy]-dimethylsilane
CID 134887219
[(Z,3R)-3-methylhex-4-enoxy]-tri(propan-2-yl)silane
CID 134895482
tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
CID 134966558
tert-butyl-[(2S,3R)-3-ethynyl-6-methylhept-5-en-2-yl]oxy-dimethylsilane
CID 134967775

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane (CID 134887198) is 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane is C/C=C/CC(CC#CCCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane?
The InChIKey is PSRGTWHQXRPHBH-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H34OSi/c1-8-10-12-13-15-17(14-11-9-2)16-19-20(6,7)18(3,4)5/h9,11,17H,8,10,14-16H2,1-7H3/b11-9+.
What are the key properties of 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane?
2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]oct-4-ynoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134887198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).