methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate

C23H38O3Si — CID 15390413

IUPACmethyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate
SMILESCCCCCCCCCC(=O)C[C@@H](CC(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H38O3Si/c1-5-6-7-8-9-10-12-15-20(24)18-22(19-23(25)26-2)27(3,4)21-16-13-11-14-17-21/h11,13-14,16-17,22H,5-10,12,15,18-19H2,1-4H3/t22-/m0/s1
InChIKeyBJTGUCVYHBBBNO-QFIPXVFZSA-N
MW390.64 g/mol
LogP5.64
Rot. Bonds14

About methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate

methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate (PubChem CID 15390413) has the molecular formula C23H38O3Si and a molecular weight of 390.64 g/mol. Its IUPAC name is methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate
PubChem CID15390413
Molecular FormulaC23H38O3Si
Molecular Weight390.64 g/mol
Exact Mass390.26
IUPAC Namemethyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate
SMILESCCCCCCCCCC(=O)C[C@@H](CC(=O)OC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H38O3Si/c1-5-6-7-8-9-10-12-15-20(24)18-22(19-23(25)26-2)27(3,4)21-16-13-11-14-17-21/h11,13-14,16-17,22H,5-10,12,15,18-19H2,1-4H3/t22-/m0/s1
InChIKeyBJTGUCVYHBBBNO-QFIPXVFZSA-N
XLogP5.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.64
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate?
The IUPAC name of methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate (CID 15390413) is methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate.
What is the SMILES notation for methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate?
The canonical SMILES for methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate is CCCCCCCCCC(=O)C[C@@H](CC(=O)OC)[Si](C)(C)c1ccccc1.
What is the InChIKey of methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate?
The InChIKey is BJTGUCVYHBBBNO-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H38O3Si/c1-5-6-7-8-9-10-12-15-20(24)18-22(19-23(25)26-2)27(3,4)21-16-13-11-14-17-21/h11,13-14,16-17,22H,5-10,12,15,18-19H2,1-4H3/t22-/m0/s1.
What are the key properties of methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate?
methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate has a molecular weight of 390.64 g/mol, XLogP of 5.64, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate is sourced from PubChem (CID 15390413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).