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

C26H55P — CID 22597089

IUPAC(5-butyl-6-propylnonadecan-5-yl)phosphane
SMILESCCCCCCCCCCCCCC(CCC)C(P)(CCCC)CCCC
InChIInChI=1S/C26H55P/c1-5-9-12-13-14-15-16-17-18-19-20-22-25(21-8-4)26(27,23-10-6-2)24-11-7-3/h25H,5-24,27H2,1-4H3
InChIKeyDKGVJBPSGCZQSC-UHFFFAOYSA-N
MW398.70 g/mol
LogP10.10
Rot. Bonds21

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

(5-butyl-6-propylnonadecan-5-yl)phosphane (PubChem CID 22597089) has the molecular formula C26H55P and a molecular weight of 398.70 g/mol. Its IUPAC name is (5-butyl-6-propylnonadecan-5-yl)phosphane.

Molecular Properties

Compound Name(5-butyl-6-propylnonadecan-5-yl)phosphane
PubChem CID22597089
Molecular FormulaC26H55P
Molecular Weight398.70 g/mol
Exact Mass398.40
IUPAC Name(5-butyl-6-propylnonadecan-5-yl)phosphane
SMILESCCCCCCCCCCCCCC(CCC)C(P)(CCCC)CCCC
InChIInChI=1S/C26H55P/c1-5-9-12-13-14-15-16-17-18-19-20-22-25(21-8-4)26(27,23-10-6-2)24-11-7-3/h25H,5-24,27H2,1-4H3
InChIKeyDKGVJBPSGCZQSC-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 510.10
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'}

Analyze (5-butyl-6-propylnonadecan-5-yl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
7,8-dihexylicosan-7-ylphosphane
CID 18442252
9,10-dioctyloctadecan-9-ylphosphane
CID 18997725
8,9-diheptylhenicosan-8-ylphosphane
CID 87777798
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
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
7,8-dihexylheptadecan-7-ylphosphane;hydrobromide
CID 173157969
(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-propylnonadecan-5-yl)phosphane?
The IUPAC name of (5-butyl-6-propylnonadecan-5-yl)phosphane (CID 22597089) is (5-butyl-6-propylnonadecan-5-yl)phosphane.
What is the SMILES notation for (5-butyl-6-propylnonadecan-5-yl)phosphane?
The canonical SMILES for (5-butyl-6-propylnonadecan-5-yl)phosphane is CCCCCCCCCCCCCC(CCC)C(P)(CCCC)CCCC.
What is the InChIKey of (5-butyl-6-propylnonadecan-5-yl)phosphane?
The InChIKey is DKGVJBPSGCZQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55P/c1-5-9-12-13-14-15-16-17-18-19-20-22-25(21-8-4)26(27,23-10-6-2)24-11-7-3/h25H,5-24,27H2,1-4H3.
What are the key properties of (5-butyl-6-propylnonadecan-5-yl)phosphane?
(5-butyl-6-propylnonadecan-5-yl)phosphane has a molecular weight of 398.70 g/mol, XLogP of 10.10, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-6-propylnonadecan-5-yl)phosphane is sourced from PubChem (CID 22597089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).