benzyl-chloro-dimethyl-nonyl-λ5-phosphane

C18H32ClP — CID 140527849

IUPACbenzyl-chloro-dimethyl-nonyl-λ5-phosphane
SMILESCCCCCCCCCP(C)(C)(Cl)Cc1ccccc1
InChIInChI=1S/C18H32ClP/c1-4-5-6-7-8-9-13-16-20(2,3,19)17-18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3
InChIKeyGWSVGIFYTDLDHM-UHFFFAOYSA-N
MW314.88 g/mol
LogP6.90
Rot. Bonds10

About benzyl-chloro-dimethyl-nonyl-λ5-phosphane

benzyl-chloro-dimethyl-nonyl-λ5-phosphane (PubChem CID 140527849) has the molecular formula C18H32ClP and a molecular weight of 314.88 g/mol. Its IUPAC name is benzyl-chloro-dimethyl-nonyl-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-chloro-dimethyl-nonyl-λ5-phosphane
PubChem CID140527849
Molecular FormulaC18H32ClP
Molecular Weight314.88 g/mol
Exact Mass314.19
IUPAC Namebenzyl-chloro-dimethyl-nonyl-λ5-phosphane
SMILESCCCCCCCCCP(C)(C)(Cl)Cc1ccccc1
InChIInChI=1S/C18H32ClP/c1-4-5-6-7-8-9-13-16-20(2,3,19)17-18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3
InChIKeyGWSVGIFYTDLDHM-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.88
LogP ≤ 56.90
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

dibenzyl-chloro-diheptyl-λ5-phosphane
CID 140527552
benzyl-bromo-dodecyl-dimethyl-λ5-phosphane
CID 139702290
dibenzyl-bromo-didodecyl-λ5-phosphane
CID 140528034
benzyl-bromo-dimethyl-pentyl-λ5-phosphane
CID 140527604
hexakis(decane);ethylbenzene
CID 173398562
chloro-didodecyl-diphenyl-λ5-phosphane
CID 140527781
chloro-dioctadecyl-diphenyl-λ5-phosphane
CID 140527769
iodo-dioctyl-diphenyl-λ5-phosphane
CID 140527903
benzyl-ethenyl-trioctyl-λ5-phosphane;hydrochloride
CID 173028038
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
trimethyl-pentyl-phenyl-λ5-phosphane
CID 141147605
iodo-octadecyl-triphenyl-λ5-phosphane
CID 140528131

Frequently Asked Questions

What is the IUPAC name of benzyl-chloro-dimethyl-nonyl-λ5-phosphane?
The IUPAC name of benzyl-chloro-dimethyl-nonyl-λ5-phosphane (CID 140527849) is benzyl-chloro-dimethyl-nonyl-λ5-phosphane.
What is the SMILES notation for benzyl-chloro-dimethyl-nonyl-λ5-phosphane?
The canonical SMILES for benzyl-chloro-dimethyl-nonyl-λ5-phosphane is CCCCCCCCCP(C)(C)(Cl)Cc1ccccc1.
What is the InChIKey of benzyl-chloro-dimethyl-nonyl-λ5-phosphane?
The InChIKey is GWSVGIFYTDLDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClP/c1-4-5-6-7-8-9-13-16-20(2,3,19)17-18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3.
What are the key properties of benzyl-chloro-dimethyl-nonyl-λ5-phosphane?
benzyl-chloro-dimethyl-nonyl-λ5-phosphane has a molecular weight of 314.88 g/mol, XLogP of 6.90, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-chloro-dimethyl-nonyl-λ5-phosphane is sourced from PubChem (CID 140527849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).