6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal

C14H30O2Si — CID 87905809

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal
SMILESCC(C)(CCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(2,3)17(6,7)16-12-10-14(4,5)9-8-11-15/h11H,8-10,12H2,1-7H3
InChIKeyGELIHVHTAMADIE-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal

6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal (PubChem CID 87905809) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal
PubChem CID87905809
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal
SMILESCC(C)(CCC=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-13(2,3)17(6,7)16-12-10-14(4,5)9-8-11-15/h11H,8-10,12H2,1-7H3
InChIKeyGELIHVHTAMADIE-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal 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 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal (CID 87905809) is 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal is CC(C)(CCC=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal?
The InChIKey is GELIHVHTAMADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-13(2,3)17(6,7)16-12-10-14(4,5)9-8-11-15/h11H,8-10,12H2,1-7H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal?
6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal has a molecular weight of 258.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal is sourced from PubChem (CID 87905809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).