triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate

C19H28O2Si — CID 10313706

IUPACtriethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate
SMILESC=C(C(=O)O[Si](CC)(CC)CC)C(/C=C/C)c1ccccc1
InChIInChI=1S/C19H28O2Si/c1-6-13-18(17-14-11-10-12-15-17)16(5)19(20)21-22(7-2,8-3)9-4/h6,10-15,18H,5,7-9H2,1-4H3/b13-6+
InChIKeyZHJSEOISURLRLK-AWNIVKPZSA-N
MW316.52 g/mol
LogP5.45
Rot. Bonds8

About triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate

triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate (PubChem CID 10313706) has the molecular formula C19H28O2Si and a molecular weight of 316.52 g/mol. Its IUPAC name is triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate.

Molecular Properties

Compound Nametriethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate
PubChem CID10313706
Molecular FormulaC19H28O2Si
Molecular Weight316.52 g/mol
Exact Mass316.19
IUPAC Nametriethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate
SMILESC=C(C(=O)O[Si](CC)(CC)CC)C(/C=C/C)c1ccccc1
InChIInChI=1S/C19H28O2Si/c1-6-13-18(17-14-11-10-12-15-17)16(5)19(20)21-22(7-2,8-3)9-4/h6,10-15,18H,5,7-9H2,1-4H3/b13-6+
InChIKeyZHJSEOISURLRLK-AWNIVKPZSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.52
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate 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

triethyl(4-phenylhepta-1,6-dien-2-yloxy)silane
CID 86212793
ethyl 2-methylidene-3-phenylbutanoate
CID 10081635
diethyl 2-phenyl-3-[(E)-prop-1-enyl]butanedioate
CID 14241585
(Z,4S,5S,6S)-4,6-dimethyl-5-[(1S)-1-phenylethoxy]-7-triethylsilyloxynon-7-en-3-one
CID 11304667
naphthalen-2-yl 2-[phenyl(triethylsilyloxy)methyl]prop-2-enoate
CID 71484556
ethyl (3R,4S)-4-hydroxy-2-methylidene-3,4-diphenylbutanoate
CID 122190267
methyl 2-benzhydrylprop-2-enoate
CID 67016942
2-methylidene-3-phenylpent-4-enoic acid
CID 10352456
4-(chloromethyl)-2-phenylhex-3-enoic acid
CID 78103592
[(Z)-2-phenylpent-3-enyl] acetate
CID 10512396
1-phenylethyl 3-methyl-2-methylidenepentanoate
CID 118040236
2,5-dimethyl-4-phenylhexa-2,5-dienoic acid
CID 67162533

Frequently Asked Questions

What is the IUPAC name of triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate?
The IUPAC name of triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate (CID 10313706) is triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate.
What is the SMILES notation for triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate?
The canonical SMILES for triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate is C=C(C(=O)O[Si](CC)(CC)CC)C(/C=C/C)c1ccccc1.
What is the InChIKey of triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate?
The InChIKey is ZHJSEOISURLRLK-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H28O2Si/c1-6-13-18(17-14-11-10-12-15-17)16(5)19(20)21-22(7-2,8-3)9-4/h6,10-15,18H,5,7-9H2,1-4H3/b13-6+.
What are the key properties of triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate?
triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate has a molecular weight of 316.52 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl (E)-2-methylidene-3-phenylhex-4-enoate is sourced from PubChem (CID 10313706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).