benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane

C25H46ClP — CID 14620087

IUPACbenzyl-chloro-hexadecyl-dimethyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(C)(C)(Cl)Cc1ccccc1
InChIInChI=1S/C25H46ClP/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(2,3,26)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3
InChIKeyGWOUJFONJFNKQS-UHFFFAOYSA-N
MW413.07 g/mol
LogP9.63
Rot. Bonds17

About benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane

benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane (PubChem CID 14620087) has the molecular formula C25H46ClP and a molecular weight of 413.07 g/mol. Its IUPAC name is benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-chloro-hexadecyl-dimethyl-λ5-phosphane
PubChem CID14620087
Molecular FormulaC25H46ClP
Molecular Weight413.07 g/mol
Exact Mass412.30
IUPAC Namebenzyl-chloro-hexadecyl-dimethyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCP(C)(C)(Cl)Cc1ccccc1
InChIInChI=1S/C25H46ClP/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(2,3,26)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3
InChIKeyGWOUJFONJFNKQS-UHFFFAOYSA-N
XLogP9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.07
LogP ≤ 59.63
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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Frequently Asked Questions

What is the IUPAC name of benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane?
The IUPAC name of benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane (CID 14620087) is benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane.
What is the SMILES notation for benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane?
The canonical SMILES for benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane is CCCCCCCCCCCCCCCCP(C)(C)(Cl)Cc1ccccc1.
What is the InChIKey of benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane?
The InChIKey is GWOUJFONJFNKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46ClP/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(2,3,26)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3.
What are the key properties of benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane?
benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane has a molecular weight of 413.07 g/mol, XLogP of 9.63, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-chloro-hexadecyl-dimethyl-λ5-phosphane is sourced from PubChem (CID 14620087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).