methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate

C10H18O3Si — CID 56964827

IUPACmethyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-13-10(12)6-5-9(11)7-8-14(2,3)4/h9,11H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyVMVWFJDZNOOKIW-VIFPVBQESA-N
MW214.34 g/mol
LogP1.18
Rot. Bonds3

About methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate

methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate (PubChem CID 56964827) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Namemethyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate
PubChem CID56964827
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Namemethyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate
SMILESCOC(=O)CC[C@H](O)C#C[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-13-10(12)6-5-9(11)7-8-14(2,3)4/h9,11H,5-6H2,1-4H3/t9-/m0/s1
InChIKeyVMVWFJDZNOOKIW-VIFPVBQESA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.18
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 methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate?
The IUPAC name of methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate (CID 56964827) is methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate is COC(=O)CC[C@H](O)C#C[Si](C)(C)C.
What is the InChIKey of methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate?
The InChIKey is VMVWFJDZNOOKIW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O3Si/c1-13-10(12)6-5-9(11)7-8-14(2,3)4/h9,11H,5-6H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate?
methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate has a molecular weight of 214.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 56964827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).