3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal

C14H30O2Si — CID 87344628

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal
SMILESCCC(CC)(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-14(9-2,10-11-15)12-16-17(6,7)13(3,4)5/h11H,8-10,12H2,1-7H3
InChIKeyCYXDZSGOGQDPET-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds7

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal

3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal (PubChem CID 87344628) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal
PubChem CID87344628
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal
SMILESCCC(CC)(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-8-14(9-2,10-11-15)12-16-17(6,7)13(3,4)5/h11H,8-10,12H2,1-7H3
InChIKeyCYXDZSGOGQDPET-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal (CID 87344628) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal is CCC(CC)(CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal?
The InChIKey is CYXDZSGOGQDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-14(9-2,10-11-15)12-16-17(6,7)13(3,4)5/h11H,8-10,12H2,1-7H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal 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 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethylpentanal is sourced from PubChem (CID 87344628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).