3-[tert-butyl(dimethyl)silyl]oxypentanedial

C11H22O3Si — CID 11470268

IUPAC3-[tert-butyl(dimethyl)silyl]oxypentanedial
SMILESCC(C)(C)[Si](C)(C)OC(CC=O)CC=O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h8-10H,6-7H2,1-5H3
InChIKeyWAQFCVMGCVWWEK-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.55
Rot. Bonds6

About 3-[tert-butyl(dimethyl)silyl]oxypentanedial

3-[tert-butyl(dimethyl)silyl]oxypentanedial (PubChem CID 11470268) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypentanedial.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypentanedial
PubChem CID11470268
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypentanedial
SMILESCC(C)(C)[Si](C)(C)OC(CC=O)CC=O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h8-10H,6-7H2,1-5H3
InChIKeyWAQFCVMGCVWWEK-UHFFFAOYSA-N
XLogP2.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]oxypentanedial?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypentanedial (CID 11470268) is 3-[tert-butyl(dimethyl)silyl]oxypentanedial.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypentanedial?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypentanedial is CC(C)(C)[Si](C)(C)OC(CC=O)CC=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypentanedial?
The InChIKey is WAQFCVMGCVWWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypentanedial?
3-[tert-butyl(dimethyl)silyl]oxypentanedial has a molecular weight of 230.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypentanedial is sourced from PubChem (CID 11470268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).