tributyl-chloro-(dodecoxymethyl)-λ5-phosphane

C25H54ClOP — CID 140995087

IUPACtributyl-chloro-(dodecoxymethyl)-λ5-phosphane
SMILESCCCCCCCCCCCCOCP(Cl)(CCCC)(CCCC)CCCC
InChIInChI=1S/C25H54ClOP/c1-5-9-13-14-15-16-17-18-19-20-21-27-25-28(26,22-10-6-2,23-11-7-3)24-12-8-4/h5-25H2,1-4H3
InChIKeyRNJSXERQIAWCPW-UHFFFAOYSA-N
MW437.13 g/mol
LogP9.99
Rot. Bonds22

About tributyl-chloro-(dodecoxymethyl)-λ5-phosphane

tributyl-chloro-(dodecoxymethyl)-λ5-phosphane (PubChem CID 140995087) has the molecular formula C25H54ClOP and a molecular weight of 437.13 g/mol. Its IUPAC name is tributyl-chloro-(dodecoxymethyl)-λ5-phosphane.

Molecular Properties

Compound Nametributyl-chloro-(dodecoxymethyl)-λ5-phosphane
PubChem CID140995087
Molecular FormulaC25H54ClOP
Molecular Weight437.13 g/mol
Exact Mass436.36
IUPAC Nametributyl-chloro-(dodecoxymethyl)-λ5-phosphane
SMILESCCCCCCCCCCCCOCP(Cl)(CCCC)(CCCC)CCCC
InChIInChI=1S/C25H54ClOP/c1-5-9-13-14-15-16-17-18-19-20-21-27-25-28(26,22-10-6-2,23-11-7-3)24-12-8-4/h5-25H2,1-4H3
InChIKeyRNJSXERQIAWCPW-UHFFFAOYSA-N
XLogP9.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.13
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tributyl-chloro-(dodecoxymethyl)-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibutyl-chloro-dihexadecyl-λ5-phosphane
CID 140527563
chloro(tetrahexadecyl)-λ5-phosphane
CID 139758998
chloro-trihexyl-octadecyl-λ5-phosphane
CID 140528098
chloro-dioctadecyl-di(tetradecyl)-λ5-phosphane
CID 139758996
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of tributyl-chloro-(dodecoxymethyl)-λ5-phosphane?
The IUPAC name of tributyl-chloro-(dodecoxymethyl)-λ5-phosphane (CID 140995087) is tributyl-chloro-(dodecoxymethyl)-λ5-phosphane.
What is the SMILES notation for tributyl-chloro-(dodecoxymethyl)-λ5-phosphane?
The canonical SMILES for tributyl-chloro-(dodecoxymethyl)-λ5-phosphane is CCCCCCCCCCCCOCP(Cl)(CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-chloro-(dodecoxymethyl)-λ5-phosphane?
The InChIKey is RNJSXERQIAWCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54ClOP/c1-5-9-13-14-15-16-17-18-19-20-21-27-25-28(26,22-10-6-2,23-11-7-3)24-12-8-4/h5-25H2,1-4H3.
What are the key properties of tributyl-chloro-(dodecoxymethyl)-λ5-phosphane?
tributyl-chloro-(dodecoxymethyl)-λ5-phosphane has a molecular weight of 437.13 g/mol, XLogP of 9.99, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-chloro-(dodecoxymethyl)-λ5-phosphane is sourced from PubChem (CID 140995087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).