methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate

C10H18O3Si — CID 19005815

IUPACmethyl 4-hydroxy-2-trimethylsilylhex-5-ynoate
SMILESC#CC(O)CC(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-8(11)7-9(10(12)13-2)14(3,4)5/h1,8-9,11H,7H2,2-5H3
InChIKeyAIRKDRKJZDDSEF-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.25
Rot. Bonds4

About methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate

methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate (PubChem CID 19005815) has the molecular formula C10H18O3Si and a molecular weight of 214.34 g/mol. Its IUPAC name is methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-trimethylsilylhex-5-ynoate
PubChem CID19005815
Molecular FormulaC10H18O3Si
Molecular Weight214.34 g/mol
Exact Mass214.10
IUPAC Namemethyl 4-hydroxy-2-trimethylsilylhex-5-ynoate
SMILESC#CC(O)CC(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C10H18O3Si/c1-6-8(11)7-9(10(12)13-2)14(3,4)5/h1,8-9,11H,7H2,2-5H3
InChIKeyAIRKDRKJZDDSEF-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.25
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 4-hydroxy-2-trimethylsilylhex-5-ynoate?
The IUPAC name of methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate (CID 19005815) is methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate.
What is the SMILES notation for methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate?
The canonical SMILES for methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate is C#CC(O)CC(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate?
The InChIKey is AIRKDRKJZDDSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3Si/c1-6-8(11)7-9(10(12)13-2)14(3,4)5/h1,8-9,11H,7H2,2-5H3.
What are the key properties of methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate?
methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate has a molecular weight of 214.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 19005815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).