2-[tributyl(chloro)-λ5-phosphanyl]acetic acid

C14H30ClO2P — CID 134993517

IUPAC2-[tributyl(chloro)-λ5-phosphanyl]acetic acid
SMILESCCCCP(Cl)(CCCC)(CCCC)CC(=O)O
InChIInChI=1S/C14H30ClO2P/c1-4-7-10-18(15,11-8-5-2,12-9-6-3)13-14(16)17/h4-13H2,1-3H3,(H,16,17)
InChIKeyPEZUAOOTSBIMCS-UHFFFAOYSA-N
MW296.82 g/mol
LogP5.18
Rot. Bonds11

About 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid

2-[tributyl(chloro)-λ5-phosphanyl]acetic acid (PubChem CID 134993517) has the molecular formula C14H30ClO2P and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid.

Molecular Properties

Compound Name2-[tributyl(chloro)-λ5-phosphanyl]acetic acid
PubChem CID134993517
Molecular FormulaC14H30ClO2P
Molecular Weight296.82 g/mol
Exact Mass296.17
IUPAC Name2-[tributyl(chloro)-λ5-phosphanyl]acetic acid
SMILESCCCCP(Cl)(CCCC)(CCCC)CC(=O)O
InChIInChI=1S/C14H30ClO2P/c1-4-7-10-18(15,11-8-5-2,12-9-6-3)13-14(16)17/h4-13H2,1-3H3,(H,16,17)
InChIKeyPEZUAOOTSBIMCS-UHFFFAOYSA-N
XLogP5.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propanoic acid;tetrabutyl(chloro)-λ5-phosphane
CID 175277396
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
hypochlorous acid;pentanoic acid
CID 157152267
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
ethane;pentanoic acid
CID 142198531
butanoic acid;hexane
CID 173374540
pentanoic acid;silver
CID 87285302
butanoic acid;octakis(hexane)
CID 173316169
butanoic acid;pentane
CID 87072992
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476

Frequently Asked Questions

What is the IUPAC name of 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid?
The IUPAC name of 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid (CID 134993517) is 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid.
What is the SMILES notation for 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid?
The canonical SMILES for 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid is CCCCP(Cl)(CCCC)(CCCC)CC(=O)O.
What is the InChIKey of 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid?
The InChIKey is PEZUAOOTSBIMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClO2P/c1-4-7-10-18(15,11-8-5-2,12-9-6-3)13-14(16)17/h4-13H2,1-3H3,(H,16,17).
What are the key properties of 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid?
2-[tributyl(chloro)-λ5-phosphanyl]acetic acid has a molecular weight of 296.82 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tributyl(chloro)-λ5-phosphanyl]acetic acid is sourced from PubChem (CID 134993517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).