di(nonyl)phosphane;hydrochloride

C18H40ClP — CID 175813490

IUPACdi(nonyl)phosphane;hydrochloride
SMILESCCCCCCCCCPCCCCCCCCC.Cl
InChIInChI=1S/C18H39P.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h19H,3-18H2,1-2H3;1H
InChIKeyDHTWAWQFQFLCLH-UHFFFAOYSA-N
MW322.95 g/mol
LogP7.59
Rot. Bonds16

About di(nonyl)phosphane;hydrochloride

di(nonyl)phosphane;hydrochloride (PubChem CID 175813490) has the molecular formula C18H40ClP and a molecular weight of 322.95 g/mol. Its IUPAC name is di(nonyl)phosphane;hydrochloride.

Molecular Properties

Compound Namedi(nonyl)phosphane;hydrochloride
PubChem CID175813490
Molecular FormulaC18H40ClP
Molecular Weight322.95 g/mol
Exact Mass322.26
IUPAC Namedi(nonyl)phosphane;hydrochloride
SMILESCCCCCCCCCPCCCCCCCCC.Cl
InChIInChI=1S/C18H39P.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h19H,3-18H2,1-2H3;1H
InChIKeyDHTWAWQFQFLCLH-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.95
LogP ≤ 57.59
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

decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
butyl(heptadecyl)phosphane
CID 146521828
dipentylphosphane
CID 11105867
hexadecyl(propyl)phosphane
CID 158670728
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
pentacosane;hydrochloride
CID 172714496
octyl(pentylphosphanyl)phosphane
CID 21095189
docosyl(docosylphosphanyl)phosphane
CID 21095052

Frequently Asked Questions

What is the IUPAC name of di(nonyl)phosphane;hydrochloride?
The IUPAC name of di(nonyl)phosphane;hydrochloride (CID 175813490) is di(nonyl)phosphane;hydrochloride.
What is the SMILES notation for di(nonyl)phosphane;hydrochloride?
The canonical SMILES for di(nonyl)phosphane;hydrochloride is CCCCCCCCCPCCCCCCCCC.Cl.
What is the InChIKey of di(nonyl)phosphane;hydrochloride?
The InChIKey is DHTWAWQFQFLCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39P.ClH/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2;/h19H,3-18H2,1-2H3;1H.
What are the key properties of di(nonyl)phosphane;hydrochloride?
di(nonyl)phosphane;hydrochloride has a molecular weight of 322.95 g/mol, XLogP of 7.59, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(nonyl)phosphane;hydrochloride is sourced from PubChem (CID 175813490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).