(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid

C20H24O2Si — CID 177428351

IUPAC(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid
SMILESC[Si](C)(/C=C\C(CC(=O)O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24O2Si/c1-23(2,16-17-9-5-3-6-10-17)14-13-19(15-20(21)22)18-11-7-4-8-12-18/h3-14,19H,15-16H2,1-2H3,(H,21,22)/b14-13-
InChIKeyDICSSRFKUXXIRF-YPKPFQOOSA-N
MW324.50 g/mol
LogP4.83
Rot. Bonds7

About (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid

(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid (PubChem CID 177428351) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid
PubChem CID177428351
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid
SMILESC[Si](C)(/C=C\C(CC(=O)O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24O2Si/c1-23(2,16-17-9-5-3-6-10-17)14-13-19(15-20(21)22)18-11-7-4-8-12-18/h3-14,19H,15-16H2,1-2H3,(H,21,22)/b14-13-
InChIKeyDICSSRFKUXXIRF-YPKPFQOOSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid?
The IUPAC name of (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid (CID 177428351) is (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid.
What is the SMILES notation for (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid?
The canonical SMILES for (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid is C[Si](C)(/C=C\C(CC(=O)O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid?
The InChIKey is DICSSRFKUXXIRF-YPKPFQOOSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-23(2,16-17-9-5-3-6-10-17)14-13-19(15-20(21)22)18-11-7-4-8-12-18/h3-14,19H,15-16H2,1-2H3,(H,21,22)/b14-13-.
What are the key properties of (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid?
(Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid has a molecular weight of 324.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[benzyl(dimethyl)silyl]-3-phenylpent-4-enoic acid is sourced from PubChem (CID 177428351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).