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

C18H34O3Si — CID 10881961

IUPACethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
SMILESCCOC(=O)C#CCCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-8-20-17(19)15-13-11-9-10-12-14-16(2)21-22(6,7)18(3,4)5/h16H,8-12,14H2,1-7H3/t16-/m1/s1
InChIKeyMXXTWDRCDSSWJV-MRXNPFEDSA-N
MW326.55 g/mol
LogP4.91
Rot. Bonds8

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

ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate (PubChem CID 10881961) has the molecular formula C18H34O3Si and a molecular weight of 326.55 g/mol. Its IUPAC name is ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate.

Molecular Properties

Compound Nameethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
PubChem CID10881961
Molecular FormulaC18H34O3Si
Molecular Weight326.55 g/mol
Exact Mass326.23
IUPAC Nameethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate
SMILESCCOC(=O)C#CCCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O3Si/c1-8-20-17(19)15-13-11-9-10-12-14-16(2)21-22(6,7)18(3,4)5/h16H,8-12,14H2,1-7H3/t16-/m1/s1
InChIKeyMXXTWDRCDSSWJV-MRXNPFEDSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 54.91
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 ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
The IUPAC name of ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate (CID 10881961) is ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate.
What is the SMILES notation for ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
The canonical SMILES for ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate is CCOC(=O)C#CCCCCC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
The InChIKey is MXXTWDRCDSSWJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H34O3Si/c1-8-20-17(19)15-13-11-9-10-12-14-16(2)21-22(6,7)18(3,4)5/h16H,8-12,14H2,1-7H3/t16-/m1/s1.
What are the key properties of ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate?
ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate has a molecular weight of 326.55 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9R)-9-[tert-butyl(dimethyl)silyl]oxydec-2-ynoate is sourced from PubChem (CID 10881961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).