1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone

C17H33OP — CID 176549568

IUPAC1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone
SMILESCCCCP(=CC(=O)C1CC1)(CCCC)CCCC
InChIInChI=1S/C17H33OP/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-17(18)16-10-11-16/h15-16H,4-14H2,1-3H3
InChIKeyOPSPCMGUOHYVDC-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.19
Rot. Bonds11

About 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone

1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone (PubChem CID 176549568) has the molecular formula C17H33OP and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone
PubChem CID176549568
Molecular FormulaC17H33OP
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone
SMILESCCCCP(=CC(=O)C1CC1)(CCCC)CCCC
InChIInChI=1S/C17H33OP/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-17(18)16-10-11-16/h15-16H,4-14H2,1-3H3
InChIKeyOPSPCMGUOHYVDC-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-1-cyclohexylnon-2-en-1-one
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1-(4-methylcyclohexyl)pentan-1-one
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1-cyclopropyl-2-ethyloctan-1-one
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(Z)-1-cyclohexyl-3-hydroxyoct-2-en-1-one;zirconium
CID 171762223
N-butyl-3,3-dicyclopropylprop-2-enamide
CID 71890780
1-(4-butanoylcyclohexyl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone?
The IUPAC name of 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone (CID 176549568) is 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone is CCCCP(=CC(=O)C1CC1)(CCCC)CCCC.
What is the InChIKey of 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone?
The InChIKey is OPSPCMGUOHYVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33OP/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-17(18)16-10-11-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone?
1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone has a molecular weight of 284.42 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 1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone is sourced from PubChem (CID 176549568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).