(5-butyl-6-propyltetradecan-5-yl)phosphane

C21H45P — CID 22596996

IUPAC(5-butyl-6-propyltetradecan-5-yl)phosphane
SMILESCCCCCCCCC(CCC)C(P)(CCCC)CCCC
InChIInChI=1S/C21H45P/c1-5-9-12-13-14-15-17-20(16-8-4)21(22,18-10-6-2)19-11-7-3/h20H,5-19,22H2,1-4H3
InChIKeyAJOQOZXRQMSIJA-UHFFFAOYSA-N
MW328.57 g/mol
LogP8.15
Rot. Bonds16

About (5-butyl-6-propyltetradecan-5-yl)phosphane

(5-butyl-6-propyltetradecan-5-yl)phosphane (PubChem CID 22596996) has the molecular formula C21H45P and a molecular weight of 328.57 g/mol. Its IUPAC name is (5-butyl-6-propyltetradecan-5-yl)phosphane.

Molecular Properties

Compound Name(5-butyl-6-propyltetradecan-5-yl)phosphane
PubChem CID22596996
Molecular FormulaC21H45P
Molecular Weight328.57 g/mol
Exact Mass328.33
IUPAC Name(5-butyl-6-propyltetradecan-5-yl)phosphane
SMILESCCCCCCCCC(CCC)C(P)(CCCC)CCCC
InChIInChI=1S/C21H45P/c1-5-9-12-13-14-15-17-20(16-8-4)21(22,18-10-6-2)19-11-7-3/h20H,5-19,22H2,1-4H3
InChIKeyAJOQOZXRQMSIJA-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
7,8-dihexylicosan-7-ylphosphane
CID 18442252
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
(5-butyl-6-ethyldodecan-5-yl)phosphane
CID 87508969
5,6-dibutyldecan-5-ylphosphane;hydroiodide
CID 173157800

Frequently Asked Questions

What is the IUPAC name of (5-butyl-6-propyltetradecan-5-yl)phosphane?
The IUPAC name of (5-butyl-6-propyltetradecan-5-yl)phosphane (CID 22596996) is (5-butyl-6-propyltetradecan-5-yl)phosphane.
What is the SMILES notation for (5-butyl-6-propyltetradecan-5-yl)phosphane?
The canonical SMILES for (5-butyl-6-propyltetradecan-5-yl)phosphane is CCCCCCCCC(CCC)C(P)(CCCC)CCCC.
What is the InChIKey of (5-butyl-6-propyltetradecan-5-yl)phosphane?
The InChIKey is AJOQOZXRQMSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45P/c1-5-9-12-13-14-15-17-20(16-8-4)21(22,18-10-6-2)19-11-7-3/h20H,5-19,22H2,1-4H3.
What are the key properties of (5-butyl-6-propyltetradecan-5-yl)phosphane?
(5-butyl-6-propyltetradecan-5-yl)phosphane has a molecular weight of 328.57 g/mol, XLogP of 8.15, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-6-propyltetradecan-5-yl)phosphane is sourced from PubChem (CID 22596996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).