ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate

C19H36O3Si — CID 154722513

IUPACethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
SMILESCCCCC#C[C@H](C[C@@H](C)C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-9-11-12-13-14-17(15-16(3)18(20)21-10-2)22-23(7,8)19(4,5)6/h16-17H,9-12,15H2,1-8H3/t16-,17-/m1/s1
InChIKeyRYGFTPJSHKUDEM-IAGOWNOFSA-N
MW340.58 g/mol
LogP5.16
Rot. Bonds8

About ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate

ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate (PubChem CID 154722513) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate.

Molecular Properties

Compound Nameethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
PubChem CID154722513
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Nameethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
SMILESCCCCC#C[C@H](C[C@@H](C)C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O3Si/c1-9-11-12-13-14-17(15-16(3)18(20)21-10-2)22-23(7,8)19(4,5)6/h16-17H,9-12,15H2,1-8H3/t16-,17-/m1/s1
InChIKeyRYGFTPJSHKUDEM-IAGOWNOFSA-N
XLogP5.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 11832609
Butyl 7-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-oxohept-5-ynoate
CID 12761469
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 56964828
cyclopentyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 58150168
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 58461611
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 58461626
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 59372853
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-6-trimethylsilylhex-5-ynoate
CID 72273509
Methyl 4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 76451000
Cyclopentyl 4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 76687594
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 89058030

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate?
The IUPAC name of ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate (CID 154722513) is ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate.
What is the SMILES notation for ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate?
The canonical SMILES for ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate is CCCCC#C[C@H](C[C@@H](C)C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate?
The InChIKey is RYGFTPJSHKUDEM-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-9-11-12-13-14-17(15-16(3)18(20)21-10-2)22-23(7,8)19(4,5)6/h16-17H,9-12,15H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate?
ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate has a molecular weight of 340.58 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate is sourced from PubChem (CID 154722513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).