5-tri(propan-2-yl)silyloxypentanal

C14H30O2Si — CID 10901318

IUPAC5-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](OCCCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-12(2)17(13(3)4,14(5)6)16-11-9-7-8-10-15/h10,12-14H,7-9,11H2,1-6H3
InChIKeyMWNUFXZOKBZQSW-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.55
Rot. Bonds9

About 5-tri(propan-2-yl)silyloxypentanal

5-tri(propan-2-yl)silyloxypentanal (PubChem CID 10901318) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyloxypentanal.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyloxypentanal
PubChem CID10901318
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name5-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](OCCCCC=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-12(2)17(13(3)4,14(5)6)16-11-9-7-8-10-15/h10,12-14H,7-9,11H2,1-6H3
InChIKeyMWNUFXZOKBZQSW-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.55
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 5-tri(propan-2-yl)silyloxypentanal?
The IUPAC name of 5-tri(propan-2-yl)silyloxypentanal (CID 10901318) is 5-tri(propan-2-yl)silyloxypentanal.
What is the SMILES notation for 5-tri(propan-2-yl)silyloxypentanal?
The canonical SMILES for 5-tri(propan-2-yl)silyloxypentanal is CC(C)[Si](OCCCCC=O)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyloxypentanal?
The InChIKey is MWNUFXZOKBZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-12(2)17(13(3)4,14(5)6)16-11-9-7-8-10-15/h10,12-14H,7-9,11H2,1-6H3.
What are the key properties of 5-tri(propan-2-yl)silyloxypentanal?
5-tri(propan-2-yl)silyloxypentanal has a molecular weight of 258.48 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyloxypentanal is sourced from PubChem (CID 10901318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).