[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate

C11H24O3Si — CID 135057288

IUPAC[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate
SMILESCCC(=O)O[C@H](C[C@@H](O)CC)[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-6-9(12)8-11(15(3,4)5)14-10(13)7-2/h9,11-12H,6-8H2,1-5H3/t9-,11-/m0/s1
InChIKeyCWCCZUPEPGVSMZ-ONGXEEELSA-N
MW232.40 g/mol
LogP2.35
Rot. Bonds6

About [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate

[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate (PubChem CID 135057288) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate.

Molecular Properties

Compound Name[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate
PubChem CID135057288
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate
SMILESCCC(=O)O[C@H](C[C@@H](O)CC)[Si](C)(C)C
InChIInChI=1S/C11H24O3Si/c1-6-9(12)8-11(15(3,4)5)14-10(13)7-2/h9,11-12H,6-8H2,1-5H3/t9-,11-/m0/s1
InChIKeyCWCCZUPEPGVSMZ-ONGXEEELSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate?
The IUPAC name of [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate (CID 135057288) is [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate.
What is the SMILES notation for [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate?
The canonical SMILES for [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate is CCC(=O)O[C@H](C[C@@H](O)CC)[Si](C)(C)C.
What is the InChIKey of [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate?
The InChIKey is CWCCZUPEPGVSMZ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-6-9(12)8-11(15(3,4)5)14-10(13)7-2/h9,11-12H,6-8H2,1-5H3/t9-,11-/m0/s1.
What are the key properties of [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate?
[(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate has a molecular weight of 232.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-hydroxy-1-trimethylsilylpentyl] propanoate is sourced from PubChem (CID 135057288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).