but-2-enylidene(tributyl)-λ5-phosphane

C16H33P — CID 91244080

IUPACbut-2-enylidene(tributyl)-λ5-phosphane
SMILESCC=CC=P(CCCC)(CCCC)CCCC
InChIInChI=1S/C16H33P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5,9,13H,6-8,10-12,14-16H2,1-4H3
InChIKeyDVLREFPQFBYJND-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.78
Rot. Bonds10

About but-2-enylidene(tributyl)-λ5-phosphane

but-2-enylidene(tributyl)-λ5-phosphane (PubChem CID 91244080) has the molecular formula C16H33P and a molecular weight of 256.41 g/mol. Its IUPAC name is but-2-enylidene(tributyl)-λ5-phosphane.

Molecular Properties

Compound Namebut-2-enylidene(tributyl)-λ5-phosphane
PubChem CID91244080
Molecular FormulaC16H33P
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Namebut-2-enylidene(tributyl)-λ5-phosphane
SMILESCC=CC=P(CCCC)(CCCC)CCCC
InChIInChI=1S/C16H33P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5,9,13H,6-8,10-12,14-16H2,1-4H3
InChIKeyDVLREFPQFBYJND-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(tributyl-λ5-phosphanylidene)acetonitrile
CID 158192317
(Z)-hept-2-ene;(2Z,4Z)-hexa-2,4-diene
CID 159947786
(E)-N-octylbut-2-en-1-imine
CID 167240064
trideca-2,4,6,8-tetraene
CID 54117998
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832
1-(tributyl-lambda5-phosphanylidene)heptan-2-one
CID 12796355
tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
dibutyl-methyl-methylidene-λ5-phosphane
CID 59603144
1-(tributyl-λ5-phosphanylidene)decan-2-one
CID 21493079
1-[(Z)-prop-1-enyl]tellanylbutane
CID 135065018
1-cyclopropyl-2-(tributyl-λ5-phosphanylidene)ethanone
CID 176549568
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750

Frequently Asked Questions

What is the IUPAC name of but-2-enylidene(tributyl)-λ5-phosphane?
The IUPAC name of but-2-enylidene(tributyl)-λ5-phosphane (CID 91244080) is but-2-enylidene(tributyl)-λ5-phosphane.
What is the SMILES notation for but-2-enylidene(tributyl)-λ5-phosphane?
The canonical SMILES for but-2-enylidene(tributyl)-λ5-phosphane is CC=CC=P(CCCC)(CCCC)CCCC.
What is the InChIKey of but-2-enylidene(tributyl)-λ5-phosphane?
The InChIKey is DVLREFPQFBYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5,9,13H,6-8,10-12,14-16H2,1-4H3.
What are the key properties of but-2-enylidene(tributyl)-λ5-phosphane?
but-2-enylidene(tributyl)-λ5-phosphane has a molecular weight of 256.41 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enylidene(tributyl)-λ5-phosphane is sourced from PubChem (CID 91244080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).