2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile

C14H29ClNP — CID 14930216

IUPAC2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile
SMILESCCCCP(Cl)(CC#N)(CCCC)CCCC
InChIInChI=1S/C14H29ClNP/c1-4-7-11-17(15,14-10-16,12-8-5-2)13-9-6-3/h4-9,11-14H2,1-3H3
InChIKeyQFTVXKKOFGJHIB-UHFFFAOYSA-N
MW277.82 g/mol
LogP5.62
Rot. Bonds10

About 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile

2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile (PubChem CID 14930216) has the molecular formula C14H29ClNP and a molecular weight of 277.82 g/mol. Its IUPAC name is 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile.

Molecular Properties

Compound Name2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile
PubChem CID14930216
Molecular FormulaC14H29ClNP
Molecular Weight277.82 g/mol
Exact Mass277.17
IUPAC Name2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile
SMILESCCCCP(Cl)(CC#N)(CCCC)CCCC
InChIInChI=1S/C14H29ClNP/c1-4-7-11-17(15,14-10-16,12-8-5-2)13-9-6-3/h4-9,11-14H2,1-3H3
InChIKeyQFTVXKKOFGJHIB-UHFFFAOYSA-N
XLogP5.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.82
LogP ≤ 55.62
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

dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
propanoic acid;tetrabutyl(chloro)-λ5-phosphane
CID 175277396
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
2-[tributyl(chloro)-λ5-phosphanyl]acetic acid
CID 134993517
tributyl-chloro-(dodecoxymethyl)-λ5-phosphane
CID 140995087
bis(1-ethyl-2,3,4,5,6-pentafluorobenzene);tetrabutyl(chloro)-λ5-phosphane
CID 158882821
[butyl(trimethyl)-λ5-phosphanyl] thiocyanate
CID 141227292

Frequently Asked Questions

What is the IUPAC name of 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile?
The IUPAC name of 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile (CID 14930216) is 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile.
What is the SMILES notation for 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile?
The canonical SMILES for 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile is CCCCP(Cl)(CC#N)(CCCC)CCCC.
What is the InChIKey of 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile?
The InChIKey is QFTVXKKOFGJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClNP/c1-4-7-11-17(15,14-10-16,12-8-5-2)13-9-6-3/h4-9,11-14H2,1-3H3.
What are the key properties of 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile?
2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile has a molecular weight of 277.82 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tributyl(chloro)-lambda5-phosphanyl]acetonitrile is sourced from PubChem (CID 14930216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).