phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate

C19H22O2Si — CID 71712406

IUPACphenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate
SMILESC=C[C@@H](CC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H22O2Si/c1-4-17(22(2,3)18-13-9-6-10-14-18)15-19(20)21-16-11-7-5-8-12-16/h4-14,17H,1,15H2,2-3H3/t17-/m0/s1
InChIKeyPURQKQLDNYUXGO-KRWDZBQOSA-N
MW310.47 g/mol
LogP4.15
Rot. Bonds6

About phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate

phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate (PubChem CID 71712406) has the molecular formula C19H22O2Si and a molecular weight of 310.47 g/mol. Its IUPAC name is phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate.

Molecular Properties

Compound Namephenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate
PubChem CID71712406
Molecular FormulaC19H22O2Si
Molecular Weight310.47 g/mol
Exact Mass310.14
IUPAC Namephenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate
SMILESC=C[C@@H](CC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H22O2Si/c1-4-17(22(2,3)18-13-9-6-10-14-18)15-19(20)21-16-11-7-5-8-12-16/h4-14,17H,1,15H2,2-3H3/t17-/m0/s1
InChIKeyPURQKQLDNYUXGO-KRWDZBQOSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.15
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': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
phenyl 3-nitropent-4-enoate
CID 121272529
phenyl 3-hydroxybutanoate
CID 15128113
methyl (3R)-3-[dimethyl(phenyl)silyl]hex-4-enoate
CID 171320236
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
CID 135804698
diphenyl 2-methylbutanedioate
CID 19419895
phenyl propanoate
CID 161258381
phenyl (3S)-3-hydroxyhexanoate
CID 15933496
4-oxo-4-phenoxy-2-phenylbutanoic acid
CID 70447338
diphenyl 2-but-3-en-2-ylpropanedioate
CID 171777600
phenyl 4,4,4-trichloro-3-hydroxybutanoate
CID 4027551
phenyl 3,5-dimethylheptanoate
CID 142632376

Frequently Asked Questions

What is the IUPAC name of phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate?
The IUPAC name of phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate (CID 71712406) is phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate.
What is the SMILES notation for phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate?
The canonical SMILES for phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate is C=C[C@@H](CC(=O)Oc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate?
The InChIKey is PURQKQLDNYUXGO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22O2Si/c1-4-17(22(2,3)18-13-9-6-10-14-18)15-19(20)21-16-11-7-5-8-12-16/h4-14,17H,1,15H2,2-3H3/t17-/m0/s1.
What are the key properties of phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate?
phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate has a molecular weight of 310.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (3R)-3-[dimethyl(phenyl)silyl]pent-4-enoate is sourced from PubChem (CID 71712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).