2-(tetrabutyl-λ5-phosphanyl)acetaldehyde

C18H39OP — CID 87449032

IUPAC2-(tetrabutyl-λ5-phosphanyl)acetaldehyde
SMILESCCCCP(CC=O)(CCCC)(CCCC)CCCC
InChIInChI=1S/C18H39OP/c1-5-9-14-20(18-13-19,15-10-6-2,16-11-7-3)17-12-8-4/h13H,5-12,14-18H2,1-4H3
InChIKeyYIFSJDCXTDGSFX-UHFFFAOYSA-N
MW302.48 g/mol
LogP5.94
Rot. Bonds14

About 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde

2-(tetrabutyl-λ5-phosphanyl)acetaldehyde (PubChem CID 87449032) has the molecular formula C18H39OP and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde.

Molecular Properties

Compound Name2-(tetrabutyl-λ5-phosphanyl)acetaldehyde
PubChem CID87449032
Molecular FormulaC18H39OP
Molecular Weight302.48 g/mol
Exact Mass302.27
IUPAC Name2-(tetrabutyl-λ5-phosphanyl)acetaldehyde
SMILESCCCCP(CC=O)(CCCC)(CCCC)CCCC
InChIInChI=1S/C18H39OP/c1-5-9-14-20(18-13-19,15-10-6-2,16-11-7-3)17-12-8-4/h13H,5-12,14-18H2,1-4H3
InChIKeyYIFSJDCXTDGSFX-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.48
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde?
The IUPAC name of 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde (CID 87449032) is 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde.
What is the SMILES notation for 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde?
The canonical SMILES for 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde is CCCCP(CC=O)(CCCC)(CCCC)CCCC.
What is the InChIKey of 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde?
The InChIKey is YIFSJDCXTDGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39OP/c1-5-9-14-20(18-13-19,15-10-6-2,16-11-7-3)17-12-8-4/h13H,5-12,14-18H2,1-4H3.
What are the key properties of 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde?
2-(tetrabutyl-λ5-phosphanyl)acetaldehyde has a molecular weight of 302.48 g/mol, XLogP of 5.94, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrabutyl-λ5-phosphanyl)acetaldehyde is sourced from PubChem (CID 87449032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).