7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid

C13H28O3Si — CID 554796

IUPAC7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(=O)O
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h6-11H2,1-5H3,(H,14,15)
InChIKeyOHJGUCCYCNBSIL-UHFFFAOYSA-N
MW260.45 g/mol
LogP4.04
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid

7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid (PubChem CID 554796) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid
PubChem CID554796
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid
SMILESCC(C)(C)[Si](C)(C)OCCCCCCC(=O)O
InChIInChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h6-11H2,1-5H3,(H,14,15)
InChIKeyOHJGUCCYCNBSIL-UHFFFAOYSA-N
XLogP4.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 54.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid (CID 554796) is 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid is CC(C)(C)[Si](C)(C)OCCCCCCC(=O)O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid?
The InChIKey is OHJGUCCYCNBSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-13(2,3)17(4,5)16-11-9-7-6-8-10-12(14)15/h6-11H2,1-5H3,(H,14,15).
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid?
7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid has a molecular weight of 260.45 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxyheptanoic acid is sourced from PubChem (CID 554796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).