ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate

C15H28O4Si — CID 175241056

IUPACethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)C(CC(C)(O)C#C[Si](C)(C)C)OC(C)C
InChIInChI=1S/C15H28O4Si/c1-8-18-14(16)13(19-12(2)3)11-15(4,17)9-10-20(5,6)7/h12-13,17H,8,11H2,1-7H3
InChIKeyUNIHZLKDHRYGRL-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.37
Rot. Bonds6

About ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate

ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate (PubChem CID 175241056) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate
PubChem CID175241056
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Nameethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate
SMILESCCOC(=O)C(CC(C)(O)C#C[Si](C)(C)C)OC(C)C
InChIInChI=1S/C15H28O4Si/c1-8-18-14(16)13(19-12(2)3)11-15(4,17)9-10-20(5,6)7/h12-13,17H,8,11H2,1-7H3
InChIKeyUNIHZLKDHRYGRL-UHFFFAOYSA-N
XLogP2.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate?
The IUPAC name of ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate (CID 175241056) is ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate.
What is the SMILES notation for ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate?
The canonical SMILES for ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate is CCOC(=O)C(CC(C)(O)C#C[Si](C)(C)C)OC(C)C.
What is the InChIKey of ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate?
The InChIKey is UNIHZLKDHRYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-8-18-14(16)13(19-12(2)3)11-15(4,17)9-10-20(5,6)7/h12-13,17H,8,11H2,1-7H3.
What are the key properties of ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate?
ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate has a molecular weight of 300.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-methyl-2-propan-2-yloxy-6-trimethylsilylhex-5-ynoate is sourced from PubChem (CID 175241056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).