1-(tributyl-λ5-phosphanylidene)decan-2-one

C22H45OP — CID 21493079

IUPAC1-(tributyl-λ5-phosphanylidene)decan-2-one
SMILESCCCCCCCCC(=O)C=P(CCCC)(CCCC)CCCC
InChIInChI=1S/C22H45OP/c1-5-9-13-14-15-16-17-22(23)21-24(18-10-6-2,19-11-7-3)20-12-8-4/h21H,5-20H2,1-4H3
InChIKeyWQULCOBOCZRJMC-UHFFFAOYSA-N
MW356.58 g/mol
LogP7.53
Rot. Bonds17

About 1-(tributyl-λ5-phosphanylidene)decan-2-one

1-(tributyl-λ5-phosphanylidene)decan-2-one (PubChem CID 21493079) has the molecular formula C22H45OP and a molecular weight of 356.58 g/mol. Its IUPAC name is 1-(tributyl-λ5-phosphanylidene)decan-2-one.

Molecular Properties

Compound Name1-(tributyl-λ5-phosphanylidene)decan-2-one
PubChem CID21493079
Molecular FormulaC22H45OP
Molecular Weight356.58 g/mol
Exact Mass356.32
IUPAC Name1-(tributyl-λ5-phosphanylidene)decan-2-one
SMILESCCCCCCCCC(=O)C=P(CCCC)(CCCC)CCCC
InChIInChI=1S/C22H45OP/c1-5-9-13-14-15-16-17-22(23)21-24(18-10-6-2,19-11-7-3)20-12-8-4/h21H,5-20H2,1-4H3
InChIKeyWQULCOBOCZRJMC-UHFFFAOYSA-N
XLogP7.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(tributyl-lambda5-phosphanylidene)heptan-2-one
CID 12796355
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-decanoyldecanamide
CID 87914075
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
N-methylheptacosanamide
CID 18175889

Frequently Asked Questions

What is the IUPAC name of 1-(tributyl-λ5-phosphanylidene)decan-2-one?
The IUPAC name of 1-(tributyl-λ5-phosphanylidene)decan-2-one (CID 21493079) is 1-(tributyl-λ5-phosphanylidene)decan-2-one.
What is the SMILES notation for 1-(tributyl-λ5-phosphanylidene)decan-2-one?
The canonical SMILES for 1-(tributyl-λ5-phosphanylidene)decan-2-one is CCCCCCCCC(=O)C=P(CCCC)(CCCC)CCCC.
What is the InChIKey of 1-(tributyl-λ5-phosphanylidene)decan-2-one?
The InChIKey is WQULCOBOCZRJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45OP/c1-5-9-13-14-15-16-17-22(23)21-24(18-10-6-2,19-11-7-3)20-12-8-4/h21H,5-20H2,1-4H3.
What are the key properties of 1-(tributyl-λ5-phosphanylidene)decan-2-one?
1-(tributyl-λ5-phosphanylidene)decan-2-one has a molecular weight of 356.58 g/mol, XLogP of 7.53, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tributyl-λ5-phosphanylidene)decan-2-one is sourced from PubChem (CID 21493079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).