2-tri(propan-2-yl)silyloxypropanal

C12H26O2Si — CID 85312499

IUPAC2-tri(propan-2-yl)silyloxypropanal
SMILESCC(C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-9(2)15(10(3)4,11(5)6)14-12(7)8-13/h8-12H,1-7H3
InChIKeyWNIHCTIJQPLTFL-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.77
Rot. Bonds6

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

2-tri(propan-2-yl)silyloxypropanal (PubChem CID 85312499) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 2-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name2-tri(propan-2-yl)silyloxypropanal
PubChem CID85312499
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name2-tri(propan-2-yl)silyloxypropanal
SMILESCC(C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C12H26O2Si/c1-9(2)15(10(3)4,11(5)6)14-12(7)8-13/h8-12H,1-7H3
InChIKeyWNIHCTIJQPLTFL-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of 2-tri(propan-2-yl)silyloxypropanal (CID 85312499) is 2-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for 2-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for 2-tri(propan-2-yl)silyloxypropanal is CC(C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-tri(propan-2-yl)silyloxypropanal?
The InChIKey is WNIHCTIJQPLTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-9(2)15(10(3)4,11(5)6)14-12(7)8-13/h8-12H,1-7H3.
What are the key properties of 2-tri(propan-2-yl)silyloxypropanal?
2-tri(propan-2-yl)silyloxypropanal has a molecular weight of 230.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 85312499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).