(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride

C29H62ClP — CID 173158164

IUPAC(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
SMILESCCCCCCCCC(CCC)C(P)(CCCCCCCC)CCCCCCCC.Cl
InChIInChI=1S/C29H61P.ClH/c1-5-9-12-15-18-21-25-28(24-8-4)29(30,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h28H,5-27,30H2,1-4H3;1H
InChIKeyWVKQWYWLWZHBJV-UHFFFAOYSA-N
MW477.24 g/mol
LogP11.69
Rot. Bonds24

About (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride

(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride (PubChem CID 173158164) has the molecular formula C29H62ClP and a molecular weight of 477.24 g/mol. Its IUPAC name is (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride.

Molecular Properties

Compound Name(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
PubChem CID173158164
Molecular FormulaC29H62ClP
Molecular Weight477.24 g/mol
Exact Mass476.43
IUPAC Name(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
SMILESCCCCCCCCC(CCC)C(P)(CCCCCCCC)CCCCCCCC.Cl
InChIInChI=1S/C29H61P.ClH/c1-5-9-12-15-18-21-25-28(24-8-4)29(30,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h28H,5-27,30H2,1-4H3;1H
InChIKeyWVKQWYWLWZHBJV-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.24
LogP ≤ 511.69
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

7,8-dihexylicosan-7-ylphosphane;hydrochloride
CID 173004507
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
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
8,9-diheptylhexadecan-8-ylphosphane;hydroiodide
CID 173157506
7,8-dihexyltetradecan-7-ylphosphane;hydrobromide
CID 173157930
(5-butyl-6-propyldecan-5-yl)phosphane;hydrobromide
CID 173157813
(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 (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride?
The IUPAC name of (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride (CID 173158164) is (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride.
What is the SMILES notation for (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride?
The canonical SMILES for (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride is CCCCCCCCC(CCC)C(P)(CCCCCCCC)CCCCCCCC.Cl.
What is the InChIKey of (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride?
The InChIKey is WVKQWYWLWZHBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61P.ClH/c1-5-9-12-15-18-21-25-28(24-8-4)29(30,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h28H,5-27,30H2,1-4H3;1H.
What are the key properties of (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride?
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride has a molecular weight of 477.24 g/mol, XLogP of 11.69, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride is sourced from PubChem (CID 173158164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).