[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate

C15H22O2Si — CID 101400773

IUPAC[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate
SMILESCC(=O)O/C(=C\CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H22O2Si/c1-13(16)17-15(18(2,3)4)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,12H,8,11H2,1-4H3/b15-12+
InChIKeySGHRDKLCAUNKGY-NTCAYCPXSA-N
MW262.43 g/mol
LogP3.94
Rot. Bonds5

About [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate

[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate (PubChem CID 101400773) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate
PubChem CID101400773
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Name[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate
SMILESCC(=O)O/C(=C\CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H22O2Si/c1-13(16)17-15(18(2,3)4)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,12H,8,11H2,1-4H3/b15-12+
InChIKeySGHRDKLCAUNKGY-NTCAYCPXSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813
4-chloropent-3-enylbenzene
CID 71383765
2-phenylethyl acetate
CID 7654
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
CID 54139822
acetyl 2-methyl-4-phenylbutanoate
CID 174376937
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
acetic acid;2-phenylethyl acetate
CID 174791962
[(Z)-3-phenyl-1-trimethylsilylprop-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101343522
(1-acetyloxy-4-phenylbutyl) acetate
CID 15889700
acetyl 2-bromo-4-phenylbutanoate
CID 174462717
[(3Z)-3-fluoro-6-phenylhexa-1,3-dien-2-yl]-trimethylsilane
CID 102212098
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713

Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate?
The IUPAC name of [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate (CID 101400773) is [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate.
What is the SMILES notation for [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate?
The canonical SMILES for [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate is CC(=O)O/C(=C\CCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate?
The InChIKey is SGHRDKLCAUNKGY-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-13(16)17-15(18(2,3)4)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,12H,8,11H2,1-4H3/b15-12+.
What are the key properties of [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate?
[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate has a molecular weight of 262.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate is sourced from PubChem (CID 101400773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).