3-tri(propan-2-yl)silyloxypropanal

C12H26O2Si — CID 11020705

IUPAC3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)15(11(3)4,12(5)6)14-9-7-8-13/h8,10-12H,7,9H2,1-6H3
InChIKeyUNEYHTRYZZLILR-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds7

About 3-tri(propan-2-yl)silyloxypropanal

3-tri(propan-2-yl)silyloxypropanal (PubChem CID 11020705) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name3-tri(propan-2-yl)silyloxypropanal
PubChem CID11020705
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-10(2)15(11(3)4,12(5)6)14-9-7-8-13/h8,10-12H,7,9H2,1-6H3
InChIKeyUNEYHTRYZZLILR-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.77
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 3-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of 3-tri(propan-2-yl)silyloxypropanal (CID 11020705) is 3-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for 3-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for 3-tri(propan-2-yl)silyloxypropanal is CC(C)[Si](OCCC=O)(C(C)C)C(C)C.
What is the InChIKey of 3-tri(propan-2-yl)silyloxypropanal?
The InChIKey is UNEYHTRYZZLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(2)15(11(3)4,12(5)6)14-9-7-8-13/h8,10-12H,7,9H2,1-6H3.
What are the key properties of 3-tri(propan-2-yl)silyloxypropanal?
3-tri(propan-2-yl)silyloxypropanal has a molecular weight of 230.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 11020705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).