methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate

C17H32O3Si — CID 57327614

IUPACmethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
SMILESCOC(=O)C#CCCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-15(20-21(6,7)17(2,3)4)13-11-9-8-10-12-14-16(18)19-5/h15H,8-11,13H2,1-7H3/t15-/m1/s1
InChIKeyBBOKSGUKDMBKTA-OAHLLOKOSA-N
MW312.53 g/mol
LogP4.52
Rot. Bonds7

About methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate

methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate (PubChem CID 57327614) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate.

Molecular Properties

Compound Namemethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
PubChem CID57327614
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Namemethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
SMILESCOC(=O)C#CCCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-15(20-21(6,7)17(2,3)4)13-11-9-8-10-12-14-16(18)19-5/h15H,8-11,13H2,1-7H3/t15-/m1/s1
InChIKeyBBOKSGUKDMBKTA-OAHLLOKOSA-N
XLogP4.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.52
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': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
The IUPAC name of methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate (CID 57327614) is methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate.
What is the SMILES notation for methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
The canonical SMILES for methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate is COC(=O)C#CCCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
The InChIKey is BBOKSGUKDMBKTA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-15(20-21(6,7)17(2,3)4)13-11-9-8-10-12-14-16(18)19-5/h15H,8-11,13H2,1-7H3/t15-/m1/s1.
What are the key properties of methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate has a molecular weight of 312.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate is sourced from PubChem (CID 57327614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).