10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid

C16H32O3Si — CID 85420672

IUPAC10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC=CC(=O)O
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(4,5)19-14-12-10-8-6-7-9-11-13-15(17)18/h11,13H,6-10,12,14H2,1-5H3,(H,17,18)
InChIKeyBLXOFLYPTFKLSM-UHFFFAOYSA-N
MW300.51 g/mol
LogP4.99
Rot. Bonds10

About 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid

10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid (PubChem CID 85420672) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid.

Molecular Properties

Compound Name10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid
PubChem CID85420672
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC=CC(=O)O
InChIInChI=1S/C16H32O3Si/c1-16(2,3)20(4,5)19-14-12-10-8-6-7-9-11-13-15(17)18/h11,13H,6-10,12,14H2,1-5H3,(H,17,18)
InChIKeyBLXOFLYPTFKLSM-UHFFFAOYSA-N
XLogP4.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid?
The IUPAC name of 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid (CID 85420672) is 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid.
What is the SMILES notation for 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid?
The canonical SMILES for 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid is CC(C)(C)[Si](C)(C)OCCCCCCCC=CC(=O)O.
What is the InChIKey of 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid?
The InChIKey is BLXOFLYPTFKLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-16(2,3)20(4,5)19-14-12-10-8-6-7-9-11-13-15(17)18/h11,13H,6-10,12,14H2,1-5H3,(H,17,18).
What are the key properties of 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid?
10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid has a molecular weight of 300.51 g/mol, XLogP of 4.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(dimethyl)silyl]oxydec-2-enoic acid is sourced from PubChem (CID 85420672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).