9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate

C29H56O6Si — CID 156904324

IUPAC9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate
SMILESCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H56O6Si/c1-7-8-9-10-11-12-13-17-20-23-33-27(31)21-18-15-14-16-19-22-28(32)34-24-26(30)25-35-36(5,6)29(2,3)4/h7-25H2,1-6H3
InChIKeyIDSYCQCMJADZOQ-UHFFFAOYSA-N
MW528.85 g/mol
LogP7.93
Rot. Bonds23

About 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate

9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate (PubChem CID 156904324) has the molecular formula C29H56O6Si and a molecular weight of 528.85 g/mol. Its IUPAC name is 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate.

Molecular Properties

Compound Name9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate
PubChem CID156904324
Molecular FormulaC29H56O6Si
Molecular Weight528.85 g/mol
Exact Mass528.38
IUPAC Name9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate
SMILESCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCC(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H56O6Si/c1-7-8-9-10-11-12-13-17-20-23-33-27(31)21-18-15-14-16-19-22-28(32)34-24-26(30)25-35-36(5,6)29(2,3)4/h7-25H2,1-6H3
InChIKeyIDSYCQCMJADZOQ-UHFFFAOYSA-N
XLogP7.93
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.85
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate?
The IUPAC name of 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate (CID 156904324) is 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate.
What is the SMILES notation for 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate?
The canonical SMILES for 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate is CCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCC(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate?
The InChIKey is IDSYCQCMJADZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O6Si/c1-7-8-9-10-11-12-13-17-20-23-33-27(31)21-18-15-14-16-19-22-28(32)34-24-26(30)25-35-36(5,6)29(2,3)4/h7-25H2,1-6H3.
What are the key properties of 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate?
9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate has a molecular weight of 528.85 g/mol, XLogP of 7.93, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate is sourced from PubChem (CID 156904324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).