methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate

C13H24O3Si — CID 89058030

IUPACmethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
SMILESC#C[C@@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-11(9-10-12(14)15-5)16-17(6,7)13(2,3)4/h1,11H,9-10H2,2-7H3/t11-/m0/s1
InChIKeyIWPWULDKMCCKJU-NSHDSACASA-N
MW256.42 g/mol
LogP2.96
Rot. Bonds5

About methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate

methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate (PubChem CID 89058030) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
PubChem CID89058030
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
SMILESC#C[C@@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-8-11(9-10-12(14)15-5)16-17(6,7)13(2,3)4/h1,11H,9-10H2,2-7H3/t11-/m0/s1
InChIKeyIWPWULDKMCCKJU-NSHDSACASA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
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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Related Compounds

ethyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyldec-5-ynoate
CID 154722513
Methyl 4-hydroxy-6-trimethylsilylhex-5-ynoate
CID 13289028
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
Methyl 4-trimethylsilyloxyhex-5-ynoate
CID 14492215
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 44232635
Ethyl 3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 101907487
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 139252727
Methyl 4-hydroxy-2-trimethylsilylhex-5-ynoate
CID 19005815
methyl (4S)-4-hydroxy-6-trimethylsilylhex-5-ynoate
CID 56964827
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate
CID 56964828
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

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate (CID 89058030) is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate is C#C[C@@H](CCC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
The InChIKey is IWPWULDKMCCKJU-NSHDSACASA-N. The full InChI is InChI=1S/C13H24O3Si/c1-8-11(9-10-12(14)15-5)16-17(6,7)13(2,3)4/h1,11H,9-10H2,2-7H3/t11-/m0/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate?
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate has a molecular weight of 256.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxyhex-5-ynoate is sourced from PubChem (CID 89058030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).