2-(tributyl-λ5-phosphanylidene)propanal

C15H31OP — CID 15633969

IUPAC2-(tributyl-λ5-phosphanylidene)propanal
SMILESCCCCP(CCCC)(CCCC)=C(C)C=O
InChIInChI=1S/C15H31OP/c1-5-8-11-17(12-9-6-2,13-10-7-3)15(4)14-16/h14H,5-13H2,1-4H3
InChIKeyBSWSJMFKRRQGQW-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.80
Rot. Bonds10

About 2-(tributyl-λ5-phosphanylidene)propanal

2-(tributyl-λ5-phosphanylidene)propanal (PubChem CID 15633969) has the molecular formula C15H31OP and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(tributyl-λ5-phosphanylidene)propanal.

Molecular Properties

Compound Name2-(tributyl-λ5-phosphanylidene)propanal
PubChem CID15633969
Molecular FormulaC15H31OP
Molecular Weight258.39 g/mol
Exact Mass258.21
IUPAC Name2-(tributyl-λ5-phosphanylidene)propanal
SMILESCCCCP(CCCC)(CCCC)=C(C)C=O
InChIInChI=1S/C15H31OP/c1-5-8-11-17(12-9-6-2,13-10-7-3)15(4)14-16/h14H,5-13H2,1-4H3
InChIKeyBSWSJMFKRRQGQW-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.80
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-(tributyl-λ5-phosphanylidene)propanal?
The IUPAC name of 2-(tributyl-λ5-phosphanylidene)propanal (CID 15633969) is 2-(tributyl-λ5-phosphanylidene)propanal.
What is the SMILES notation for 2-(tributyl-λ5-phosphanylidene)propanal?
The canonical SMILES for 2-(tributyl-λ5-phosphanylidene)propanal is CCCCP(CCCC)(CCCC)=C(C)C=O.
What is the InChIKey of 2-(tributyl-λ5-phosphanylidene)propanal?
The InChIKey is BSWSJMFKRRQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31OP/c1-5-8-11-17(12-9-6-2,13-10-7-3)15(4)14-16/h14H,5-13H2,1-4H3.
What are the key properties of 2-(tributyl-λ5-phosphanylidene)propanal?
2-(tributyl-λ5-phosphanylidene)propanal has a molecular weight of 258.39 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tributyl-λ5-phosphanylidene)propanal is sourced from PubChem (CID 15633969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).