9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid

C19H38O4Si — CID 70006184

IUPAC9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCCC(=O)O)C1CCCO1
InChIInChI=1S/C19H38O4Si/c1-19(2,3)24(4,5)23-17(16-13-11-15-22-16)12-9-7-6-8-10-14-18(20)21/h16-17H,6-15H2,1-5H3,(H,20,21)
InChIKeyIZPYCQGNLJWGHZ-UHFFFAOYSA-N
MW358.60 g/mol
LogP5.37
Rot. Bonds11

About 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid

9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid (PubChem CID 70006184) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid
PubChem CID70006184
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CCCCCCCC(=O)O)C1CCCO1
InChIInChI=1S/C19H38O4Si/c1-19(2,3)24(4,5)23-17(16-13-11-15-22-16)12-9-7-6-8-10-14-18(20)21/h16-17H,6-15H2,1-5H3,(H,20,21)
InChIKeyIZPYCQGNLJWGHZ-UHFFFAOYSA-N
XLogP5.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.60
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid (CID 70006184) is 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid is CC(C)(C)[Si](C)(C)OC(CCCCCCCC(=O)O)C1CCCO1.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid?
The InChIKey is IZPYCQGNLJWGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-19(2,3)24(4,5)23-17(16-13-11-15-22-16)12-9-7-6-8-10-14-18(20)21/h16-17H,6-15H2,1-5H3,(H,20,21).
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid?
9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid has a molecular weight of 358.60 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxy-9-(oxolan-2-yl)nonanoic acid is sourced from PubChem (CID 70006184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).