2-(tributyl-lambda5-phosphanylidene)butanal

C16H33OP — CID 15633968

IUPAC2-(tributyl-lambda5-phosphanylidene)butanal
SMILESCCCCP(CCCC)(CCCC)=C(C=O)CC
InChIInChI=1S/C16H33OP/c1-5-9-12-18(13-10-6-2,14-11-7-3)16(8-4)15-17/h15H,5-14H2,1-4H3
InChIKeyUSTAXTPMZQJWRI-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.19
Rot. Bonds11

About 2-(tributyl-lambda5-phosphanylidene)butanal

2-(tributyl-lambda5-phosphanylidene)butanal (PubChem CID 15633968) has the molecular formula C16H33OP and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(tributyl-lambda5-phosphanylidene)butanal.

Molecular Properties

Compound Name2-(tributyl-lambda5-phosphanylidene)butanal
PubChem CID15633968
Molecular FormulaC16H33OP
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name2-(tributyl-lambda5-phosphanylidene)butanal
SMILESCCCCP(CCCC)(CCCC)=C(C=O)CC
InChIInChI=1S/C16H33OP/c1-5-9-12-18(13-10-6-2,14-11-7-3)16(8-4)15-17/h15H,5-14H2,1-4H3
InChIKeyUSTAXTPMZQJWRI-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.19
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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Related Compounds

2-(tributyl-λ5-phosphanylidene)propanedioic acid
CID 87547445
2-(tripropyl-lambda5-phosphanylidene)propanal
CID 15399742
butylphosphonic acid;neodymium
CID 134499527
butyl(methyl)phosphinic acid
CID 10909622
[butyl(propyl)phosphoryl]formic acid
CID 87461949
2-sulfanylidenenonanal
CID 173275971
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
dibutylphosphorylmethanol
CID 5219006
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
potassium;butylphosphonic acid;hydride
CID 174388690
CID 172720905
CID 172720905
butoxy-butyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88675166

Frequently Asked Questions

What is the IUPAC name of 2-(tributyl-lambda5-phosphanylidene)butanal?
The IUPAC name of 2-(tributyl-lambda5-phosphanylidene)butanal (CID 15633968) is 2-(tributyl-lambda5-phosphanylidene)butanal.
What is the SMILES notation for 2-(tributyl-lambda5-phosphanylidene)butanal?
The canonical SMILES for 2-(tributyl-lambda5-phosphanylidene)butanal is CCCCP(CCCC)(CCCC)=C(C=O)CC.
What is the InChIKey of 2-(tributyl-lambda5-phosphanylidene)butanal?
The InChIKey is USTAXTPMZQJWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33OP/c1-5-9-12-18(13-10-6-2,14-11-7-3)16(8-4)15-17/h15H,5-14H2,1-4H3.
What are the key properties of 2-(tributyl-lambda5-phosphanylidene)butanal?
2-(tributyl-lambda5-phosphanylidene)butanal has a molecular weight of 272.41 g/mol, XLogP of 5.19, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tributyl-lambda5-phosphanylidene)butanal is sourced from PubChem (CID 15633968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).