2-(tripropyl-lambda5-phosphanylidene)propanal

C12H25OP — CID 15399742

IUPAC2-(tripropyl-lambda5-phosphanylidene)propanal
SMILESCCCP(CCC)(CCC)=C(C)C=O
InChIInChI=1S/C12H25OP/c1-5-8-14(9-6-2,10-7-3)12(4)11-13/h11H,5-10H2,1-4H3
InChIKeyKJNFLXZXHSRYHB-UHFFFAOYSA-N
MW216.30 g/mol
LogP3.63
Rot. Bonds7

About 2-(tripropyl-lambda5-phosphanylidene)propanal

2-(tripropyl-lambda5-phosphanylidene)propanal (PubChem CID 15399742) has the molecular formula C12H25OP and a molecular weight of 216.30 g/mol. Its IUPAC name is 2-(tripropyl-lambda5-phosphanylidene)propanal.

Molecular Properties

Compound Name2-(tripropyl-lambda5-phosphanylidene)propanal
PubChem CID15399742
Molecular FormulaC12H25OP
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC Name2-(tripropyl-lambda5-phosphanylidene)propanal
SMILESCCCP(CCC)(CCC)=C(C)C=O
InChIInChI=1S/C12H25OP/c1-5-8-14(9-6-2,10-7-3)12(4)11-13/h11H,5-10H2,1-4H3
InChIKeyKJNFLXZXHSRYHB-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.63
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-(tripropyl-lambda5-phosphanylidene)propanal?
The IUPAC name of 2-(tripropyl-lambda5-phosphanylidene)propanal (CID 15399742) is 2-(tripropyl-lambda5-phosphanylidene)propanal.
What is the SMILES notation for 2-(tripropyl-lambda5-phosphanylidene)propanal?
The canonical SMILES for 2-(tripropyl-lambda5-phosphanylidene)propanal is CCCP(CCC)(CCC)=C(C)C=O.
What is the InChIKey of 2-(tripropyl-lambda5-phosphanylidene)propanal?
The InChIKey is KJNFLXZXHSRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25OP/c1-5-8-14(9-6-2,10-7-3)12(4)11-13/h11H,5-10H2,1-4H3.
What are the key properties of 2-(tripropyl-lambda5-phosphanylidene)propanal?
2-(tripropyl-lambda5-phosphanylidene)propanal has a molecular weight of 216.30 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tripropyl-lambda5-phosphanylidene)propanal is sourced from PubChem (CID 15399742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).