8-[tert-butyl(dimethyl)silyl]oxyoctanal

C14H30O2Si — CID 11108030

IUPAC8-[tert-butyl(dimethyl)silyl]oxyoctanal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC=O
InChIInChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h12H,6-11,13H2,1-5H3
InChIKeyBTNWTGHRPRWAIW-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds9

About 8-[tert-butyl(dimethyl)silyl]oxyoctanal

8-[tert-butyl(dimethyl)silyl]oxyoctanal (PubChem CID 11108030) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxyoctanal.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxyoctanal
PubChem CID11108030
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxyoctanal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC=O
InChIInChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h12H,6-11,13H2,1-5H3
InChIKeyBTNWTGHRPRWAIW-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
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 8-[tert-butyl(dimethyl)silyl]oxyoctanal?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxyoctanal (CID 11108030) is 8-[tert-butyl(dimethyl)silyl]oxyoctanal.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxyoctanal?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxyoctanal is CC(C)(C)[Si](C)(C)OCCCCCCCC=O.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxyoctanal?
The InChIKey is BTNWTGHRPRWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-13-11-9-7-6-8-10-12-15/h12H,6-11,13H2,1-5H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxyoctanal?
8-[tert-butyl(dimethyl)silyl]oxyoctanal has a molecular weight of 258.48 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxyoctanal is sourced from PubChem (CID 11108030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).