2-(tributyl-λ5-phosphanylidene)acetaldehyde

C14H29OP — CID 135082709

IUPAC2-(tributyl-λ5-phosphanylidene)acetaldehyde
SMILESCCCCP(=CC=O)(CCCC)CCCC
InChIInChI=1S/C14H29OP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h10,14H,4-9,11-13H2,1-3H3
InChIKeyBDUVPYWPLYRTLX-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.41
Rot. Bonds10

About 2-(tributyl-λ5-phosphanylidene)acetaldehyde

2-(tributyl-λ5-phosphanylidene)acetaldehyde (PubChem CID 135082709) has the molecular formula C14H29OP and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(tributyl-λ5-phosphanylidene)acetaldehyde.

Molecular Properties

Compound Name2-(tributyl-λ5-phosphanylidene)acetaldehyde
PubChem CID135082709
Molecular FormulaC14H29OP
Molecular Weight244.36 g/mol
Exact Mass244.20
IUPAC Name2-(tributyl-λ5-phosphanylidene)acetaldehyde
SMILESCCCCP(=CC=O)(CCCC)CCCC
InChIInChI=1S/C14H29OP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h10,14H,4-9,11-13H2,1-3H3
InChIKeyBDUVPYWPLYRTLX-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.41
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)acetaldehyde?
The IUPAC name of 2-(tributyl-λ5-phosphanylidene)acetaldehyde (CID 135082709) is 2-(tributyl-λ5-phosphanylidene)acetaldehyde.
What is the SMILES notation for 2-(tributyl-λ5-phosphanylidene)acetaldehyde?
The canonical SMILES for 2-(tributyl-λ5-phosphanylidene)acetaldehyde is CCCCP(=CC=O)(CCCC)CCCC.
What is the InChIKey of 2-(tributyl-λ5-phosphanylidene)acetaldehyde?
The InChIKey is BDUVPYWPLYRTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29OP/c1-4-7-11-16(14-10-15,12-8-5-2)13-9-6-3/h10,14H,4-9,11-13H2,1-3H3.
What are the key properties of 2-(tributyl-λ5-phosphanylidene)acetaldehyde?
2-(tributyl-λ5-phosphanylidene)acetaldehyde has a molecular weight of 244.36 g/mol, XLogP of 4.41, 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)acetaldehyde is sourced from PubChem (CID 135082709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).