(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C17H31NO4Si — CID 10759677

IUPAC(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H31NO4Si/c1-16(2)13-22-17(3,4)18(16)15(20)21-11-8-9-14(19)10-12-23(5,6)7/h14,19H,8-9,11,13H2,1-7H3
InChIKeyFWJKMWCIFPPORU-UHFFFAOYSA-N
MW341.52 g/mol
LogP2.99
Rot. Bonds4

About (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10759677) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10759677
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Name(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OCCCC(O)C#C[Si](C)(C)C
InChIInChI=1S/C17H31NO4Si/c1-16(2)13-22-17(3,4)18(16)15(20)21-11-8-9-14(19)10-12-23(5,6)7/h14,19H,8-9,11,13H2,1-7H3
InChIKeyFWJKMWCIFPPORU-UHFFFAOYSA-N
XLogP2.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 10759677) is (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OCCCC(O)C#C[Si](C)(C)C.
What is the InChIKey of (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FWJKMWCIFPPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-16(2)13-22-17(3,4)18(16)15(20)21-11-8-9-14(19)10-12-23(5,6)7/h14,19H,8-9,11,13H2,1-7H3.
What are the key properties of (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 341.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10759677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).