2-[tert-butyl(dimethyl)silyl]oxynonanal

C15H32O2Si — CID 72974532

IUPAC2-[tert-butyl(dimethyl)silyl]oxynonanal
SMILESCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-10-11-12-14(13-16)17-18(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyPXXOVRYPCHCVHB-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.94
Rot. Bonds9

About 2-[tert-butyl(dimethyl)silyl]oxynonanal

2-[tert-butyl(dimethyl)silyl]oxynonanal (PubChem CID 72974532) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxynonanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxynonanal
PubChem CID72974532
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxynonanal
SMILESCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-10-11-12-14(13-16)17-18(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3
InChIKeyPXXOVRYPCHCVHB-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2-[tert-butyl(dimethyl)silyl]oxynonanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxynonanal (CID 72974532) is 2-[tert-butyl(dimethyl)silyl]oxynonanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxynonanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxynonanal is CCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxynonanal?
The InChIKey is PXXOVRYPCHCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-8-9-10-11-12-14(13-16)17-18(5,6)15(2,3)4/h13-14H,7-12H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxynonanal?
2-[tert-butyl(dimethyl)silyl]oxynonanal has a molecular weight of 272.50 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxynonanal is sourced from PubChem (CID 72974532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).