propanoic acid;tetrabutyl(chloro)-λ5-phosphane

C19H42ClO2P — CID 175277396

IUPACpropanoic acid;tetrabutyl(chloro)-λ5-phosphane
SMILESCCC(=O)O.CCCCP(Cl)(CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36ClP.C3H6O2/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4;1-2-3(4)5/h5-16H2,1-4H3;2H2,1H3,(H,4,5)
InChIKeyNVDOGBRBWYZGLI-UHFFFAOYSA-N
MW368.97 g/mol
LogP7.37
Rot. Bonds13

About propanoic acid;tetrabutyl(chloro)-λ5-phosphane

propanoic acid;tetrabutyl(chloro)-λ5-phosphane (PubChem CID 175277396) has the molecular formula C19H42ClO2P and a molecular weight of 368.97 g/mol. Its IUPAC name is propanoic acid;tetrabutyl(chloro)-λ5-phosphane.

Molecular Properties

Compound Namepropanoic acid;tetrabutyl(chloro)-λ5-phosphane
PubChem CID175277396
Molecular FormulaC19H42ClO2P
Molecular Weight368.97 g/mol
Exact Mass368.26
IUPAC Namepropanoic acid;tetrabutyl(chloro)-λ5-phosphane
SMILESCCC(=O)O.CCCCP(Cl)(CCCC)(CCCC)CCCC
InChIInChI=1S/C16H36ClP.C3H6O2/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4;1-2-3(4)5/h5-16H2,1-4H3;2H2,1H3,(H,4,5)
InChIKeyNVDOGBRBWYZGLI-UHFFFAOYSA-N
XLogP7.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.97
LogP ≤ 57.37
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

2-[tributyl(chloro)-λ5-phosphanyl]acetic acid
CID 134993517
dibutyl-chloro-dipropyl-λ5-phosphane
CID 140527658
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
decane;propanoic acid
CID 158826686
8-[tributyl(chloro)-λ5-phosphanyl]octan-1-ol
CID 141241231
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
azane;dodecane;propanoic acid
CID 173003652
decanoic acid;propanoic acid
CID 87792095
hypochlorous acid;pentanoic acid
CID 157152267
octanoic acid;propanoic acid;ruthenium
CID 173427049
propanoic acid;dihydrofluoride
CID 173419874
propanoic acid;zirconium
CID 88666887

Frequently Asked Questions

What is the IUPAC name of propanoic acid;tetrabutyl(chloro)-λ5-phosphane?
The IUPAC name of propanoic acid;tetrabutyl(chloro)-λ5-phosphane (CID 175277396) is propanoic acid;tetrabutyl(chloro)-λ5-phosphane.
What is the SMILES notation for propanoic acid;tetrabutyl(chloro)-λ5-phosphane?
The canonical SMILES for propanoic acid;tetrabutyl(chloro)-λ5-phosphane is CCC(=O)O.CCCCP(Cl)(CCCC)(CCCC)CCCC.
What is the InChIKey of propanoic acid;tetrabutyl(chloro)-λ5-phosphane?
The InChIKey is NVDOGBRBWYZGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36ClP.C3H6O2/c1-5-9-13-18(17,14-10-6-2,15-11-7-3)16-12-8-4;1-2-3(4)5/h5-16H2,1-4H3;2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;tetrabutyl(chloro)-λ5-phosphane?
propanoic acid;tetrabutyl(chloro)-λ5-phosphane has a molecular weight of 368.97 g/mol, XLogP of 7.37, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;tetrabutyl(chloro)-λ5-phosphane is sourced from PubChem (CID 175277396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).