tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate

C18H28O2Si — CID 11174213

IUPACtri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
SMILESCC(C)[Si](OC(=O)/C=C/c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C18H28O2Si/c1-14(2)21(15(3)4,16(5)6)20-18(19)13-12-17-10-8-7-9-11-17/h7-16H,1-6H3/b13-12+
InChIKeyPJUSILLCJCWBKJ-OUKQBFOZSA-N
MW304.51 g/mol
LogP5.42
Rot. Bonds6

About tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate

tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate (PubChem CID 11174213) has the molecular formula C18H28O2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
PubChem CID11174213
Molecular FormulaC18H28O2Si
Molecular Weight304.51 g/mol
Exact Mass304.19
IUPAC Nametri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
SMILESCC(C)[Si](OC(=O)/C=C/c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C18H28O2Si/c1-14(2)21(15(3)4,16(5)6)20-18(19)13-12-17-10-8-7-9-11-17/h7-16H,1-6H3/b13-12+
InChIKeyPJUSILLCJCWBKJ-OUKQBFOZSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tri(propan-2-yl)silyl (E)-3-phenylprop-2-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

tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate
CID 155661267
trimethoxysilyl (E)-3-phenylprop-2-enoate
CID 68833858
[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
CID 175667784
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
acetyl 3-phenylprop-2-enoate
CID 57206996
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
diaminomethyl 3-phenylprop-2-enoate
CID 59346009

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate?
The IUPAC name of tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate (CID 11174213) is tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate is CC(C)[Si](OC(=O)/C=C/c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate?
The InChIKey is PJUSILLCJCWBKJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H28O2Si/c1-14(2)21(15(3)4,16(5)6)20-18(19)13-12-17-10-8-7-9-11-17/h7-16H,1-6H3/b13-12+.
What are the key properties of tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate?
tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate has a molecular weight of 304.51 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 11174213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).