4-tri(propan-2-yl)silyloxybutanal

C13H28O2Si — CID 11075698

IUPAC4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OCCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h9,11-13H,7-8,10H2,1-6H3
InChIKeyFKBHQOYTZWRTFO-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.16
Rot. Bonds8

About 4-tri(propan-2-yl)silyloxybutanal

4-tri(propan-2-yl)silyloxybutanal (PubChem CID 11075698) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxybutanal
PubChem CID11075698
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OCCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C13H28O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h9,11-13H,7-8,10H2,1-6H3
InChIKeyFKBHQOYTZWRTFO-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.16
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 4-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of 4-tri(propan-2-yl)silyloxybutanal (CID 11075698) is 4-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for 4-tri(propan-2-yl)silyloxybutanal is CC(C)[Si](OCCCC=O)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxybutanal?
The InChIKey is FKBHQOYTZWRTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(2)16(12(3)4,13(5)6)15-10-8-7-9-14/h9,11-13H,7-8,10H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxybutanal?
4-tri(propan-2-yl)silyloxybutanal has a molecular weight of 244.45 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 11075698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).