7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal

C16H34O2Si — CID 15654024

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal
SMILESCC(CCO[Si](C)(C)C(C)(C)C)CCC(C)(C)C=O
InChIInChI=1S/C16H34O2Si/c1-14(9-11-16(5,6)13-17)10-12-18-19(7,8)15(2,3)4/h13-14H,9-12H2,1-8H3
InChIKeyIRXCNZFILJXLDF-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.04
Rot. Bonds8

About 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal

7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal (PubChem CID 15654024) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal
PubChem CID15654024
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal
SMILESCC(CCO[Si](C)(C)C(C)(C)C)CCC(C)(C)C=O
InChIInChI=1S/C16H34O2Si/c1-14(9-11-16(5,6)13-17)10-12-18-19(7,8)15(2,3)4/h13-14H,9-12H2,1-8H3
InChIKeyIRXCNZFILJXLDF-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal (CID 15654024) is 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal is CC(CCO[Si](C)(C)C(C)(C)C)CCC(C)(C)C=O.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal?
The InChIKey is IRXCNZFILJXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-14(9-11-16(5,6)13-17)10-12-18-19(7,8)15(2,3)4/h13-14H,9-12H2,1-8H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal?
7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal has a molecular weight of 286.53 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-2,2,5-trimethylheptanal is sourced from PubChem (CID 15654024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).