methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate

C16H24O2Si — CID 135804698

IUPACmethyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
SMILESC=C[C@H](CC(=O)OC)[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-6-14(12-16(17)18-3)13(2)19(4,5)15-10-8-7-9-11-15/h6-11,13-14H,1,12H2,2-5H3/t13-,14+/m0/s1
InChIKeyPXWQBBNFDMRGRM-UONOGXRCSA-N
MW276.45 g/mol
LogP3.36
Rot. Bonds6

About methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate

methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate (PubChem CID 135804698) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
PubChem CID135804698
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Namemethyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate
SMILESC=C[C@H](CC(=O)OC)[C@H](C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C16H24O2Si/c1-6-14(12-16(17)18-3)13(2)19(4,5)15-10-8-7-9-11-15/h6-11,13-14H,1,12H2,2-5H3/t13-,14+/m0/s1
InChIKeyPXWQBBNFDMRGRM-UONOGXRCSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.36
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate?
The IUPAC name of methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate (CID 135804698) is methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate.
What is the SMILES notation for methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate?
The canonical SMILES for methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate is C=C[C@H](CC(=O)OC)[C@H](C)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate?
The InChIKey is PXWQBBNFDMRGRM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-6-14(12-16(17)18-3)13(2)19(4,5)15-10-8-7-9-11-15/h6-11,13-14H,1,12H2,2-5H3/t13-,14+/m0/s1.
What are the key properties of methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate?
methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate has a molecular weight of 276.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]pent-4-enoate is sourced from PubChem (CID 135804698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).