chloro-trimethyl-tetracosyl-λ5-phosphane

C27H58ClP — CID 140680178

IUPACchloro-trimethyl-tetracosyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCP(C)(C)(C)Cl
InChIInChI=1S/C27H58ClP/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(2,3,4)28/h5-27H2,1-4H3
InChIKeyNJIAOHXDQGJKKC-UHFFFAOYSA-N
MW449.19 g/mol
LogP11.19
Rot. Bonds23

About chloro-trimethyl-tetracosyl-λ5-phosphane

chloro-trimethyl-tetracosyl-λ5-phosphane (PubChem CID 140680178) has the molecular formula C27H58ClP and a molecular weight of 449.19 g/mol. Its IUPAC name is chloro-trimethyl-tetracosyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-trimethyl-tetracosyl-λ5-phosphane
PubChem CID140680178
Molecular FormulaC27H58ClP
Molecular Weight449.19 g/mol
Exact Mass448.40
IUPAC Namechloro-trimethyl-tetracosyl-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCCCCCCCP(C)(C)(C)Cl
InChIInChI=1S/C27H58ClP/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(2,3,4)28/h5-27H2,1-4H3
InChIKeyNJIAOHXDQGJKKC-UHFFFAOYSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.19
LogP ≤ 511.19
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

chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
chloro-ethyl-dimethyl-tetradecyl-λ5-phosphane
CID 139700838
dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro-diethyl-di(nonyl)-λ5-phosphane
CID 140527901
chloro-didecyl-dihydroxy-λ5-phosphane
CID 88807226
bromo-methyl-trioctyl-lambda5-phosphane
CID 14009537
bromo-hexyl-trimethyl-λ5-phosphane
CID 140527909
bromo-trimethyl-tricosyl-λ5-phosphane
CID 140680177
trihydroxy-methyl-undecyl-λ5-phosphane
CID 87283197
triheptyl-iodo-methyl-λ5-phosphane
CID 140527858

Frequently Asked Questions

What is the IUPAC name of chloro-trimethyl-tetracosyl-λ5-phosphane?
The IUPAC name of chloro-trimethyl-tetracosyl-λ5-phosphane (CID 140680178) is chloro-trimethyl-tetracosyl-λ5-phosphane.
What is the SMILES notation for chloro-trimethyl-tetracosyl-λ5-phosphane?
The canonical SMILES for chloro-trimethyl-tetracosyl-λ5-phosphane is CCCCCCCCCCCCCCCCCCCCCCCCP(C)(C)(C)Cl.
What is the InChIKey of chloro-trimethyl-tetracosyl-λ5-phosphane?
The InChIKey is NJIAOHXDQGJKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58ClP/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29(2,3,4)28/h5-27H2,1-4H3.
What are the key properties of chloro-trimethyl-tetracosyl-λ5-phosphane?
chloro-trimethyl-tetracosyl-λ5-phosphane has a molecular weight of 449.19 g/mol, XLogP of 11.19, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-trimethyl-tetracosyl-λ5-phosphane is sourced from PubChem (CID 140680178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).