6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal

C19H40O5Si — CID 18964708

IUPAC6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal
SMILESCC(C=O)CCCCOCCOCCOCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si/c1-18(17-20)9-7-8-10-21-11-12-22-13-14-23-15-16-24-25(5,6)19(2,3)4/h17-18H,7-16H2,1-6H3
InChIKeyXGCYUNBSZMMRIH-UHFFFAOYSA-N
MW376.61 g/mol
LogP4.06
Rot. Bonds16

About 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal

6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal (PubChem CID 18964708) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal.

Molecular Properties

Compound Name6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal
PubChem CID18964708
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal
SMILESCC(C=O)CCCCOCCOCCOCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si/c1-18(17-20)9-7-8-10-21-11-12-22-13-14-23-15-16-24-25(5,6)19(2,3)4/h17-18H,7-16H2,1-6H3
InChIKeyXGCYUNBSZMMRIH-UHFFFAOYSA-N
XLogP4.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.61
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal 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-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal?
The IUPAC name of 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal (CID 18964708) is 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal.
What is the SMILES notation for 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal?
The canonical SMILES for 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal is CC(C=O)CCCCOCCOCCOCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal?
The InChIKey is XGCYUNBSZMMRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-18(17-20)9-7-8-10-21-11-12-22-13-14-23-15-16-24-25(5,6)19(2,3)4/h17-18H,7-16H2,1-6H3.
What are the key properties of 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal?
6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal has a molecular weight of 376.61 g/mol, XLogP of 4.06, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]-2-methylhexanal is sourced from PubChem (CID 18964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).