2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal

C15H30O2Si — CID 19437920

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CC1CCCCC1
InChIInChI=1S/C15H30O2Si/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3
InChIKeyJLOQVIVAQDFVLJ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.55
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal

2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal (PubChem CID 19437920) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal
PubChem CID19437920
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CC1CCCCC1
InChIInChI=1S/C15H30O2Si/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3
InChIKeyJLOQVIVAQDFVLJ-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.55
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 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal (CID 19437920) is 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal is CC(C)(C)[Si](C)(C)OC(C=O)CC1CCCCC1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal?
The InChIKey is JLOQVIVAQDFVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-15(2,3)18(4,5)17-14(12-16)11-13-9-7-6-8-10-13/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal?
2-[tert-butyl(dimethyl)silyl]oxy-3-cyclohexylpropanal has a molecular weight of 270.49 g/mol, XLogP of 4.55, 5 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]oxy-3-cyclohexylpropanal is sourced from PubChem (CID 19437920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).