ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate

C11H20O3Si — CID 11356639

IUPACethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)C[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-5-14-11(13)9-10(12)7-6-8-15(2,3)4/h10,12H,5,7,9H2,1-4H3/t10-/m0/s1
InChIKeyDZLKBIJWOCIWIT-JTQLQIEISA-N
MW228.36 g/mol
LogP1.57
Rot. Bonds4

About ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate

ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate (PubChem CID 11356639) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
PubChem CID11356639
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Nameethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)C[C@@H](O)CC#C[Si](C)(C)C
InChIInChI=1S/C11H20O3Si/c1-5-14-11(13)9-10(12)7-6-8-15(2,3)4/h10,12H,5,7,9H2,1-4H3/t10-/m0/s1
InChIKeyDZLKBIJWOCIWIT-JTQLQIEISA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
The IUPAC name of ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate (CID 11356639) is ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate is CCOC(=O)C[C@@H](O)CC#C[Si](C)(C)C.
What is the InChIKey of ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
The InChIKey is DZLKBIJWOCIWIT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O3Si/c1-5-14-11(13)9-10(12)7-6-8-15(2,3)4/h10,12H,5,7,9H2,1-4H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate?
ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate has a molecular weight of 228.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxy-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 11356639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).