methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide

C16H38Br2P2 — CID 173222555

IUPACmethyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide
SMILESBr.Br.CC(C)CCCP(C)CCP(C)CCCC(C)C
InChIInChI=1S/C16H36P2.2BrH/c1-15(2)9-7-11-17(5)13-14-18(6)12-8-10-16(3)4;;/h15-16H,7-14H2,1-6H3;2*1H
InChIKeyVVTADBJXRJSKSZ-UHFFFAOYSA-N
MW452.24 g/mol
LogP7.24
Rot. Bonds11

About methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide

methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide (PubChem CID 173222555) has the molecular formula C16H38Br2P2 and a molecular weight of 452.24 g/mol. Its IUPAC name is methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide.

Molecular Properties

Compound Namemethyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide
PubChem CID173222555
Molecular FormulaC16H38Br2P2
Molecular Weight452.24 g/mol
Exact Mass450.08
IUPAC Namemethyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide
SMILESBr.Br.CC(C)CCCP(C)CCP(C)CCCC(C)C
InChIInChI=1S/C16H36P2.2BrH/c1-15(2)9-7-11-17(5)13-14-18(6)12-8-10-16(3)4;;/h15-16H,7-14H2,1-6H3;2*1H
InChIKeyVVTADBJXRJSKSZ-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.24
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide 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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
tris(7-methyloctyl)phosphane
CID 141083422
tris(6-methylheptyl)phosphane
CID 14029657
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
2-dimethylphosphanylethyl-(3-dimethylphosphanylpropyl)-methylphosphane
CID 54454183
17-methyloctadecane-1,1-diamine
CID 154316058
2-methylheptadecane;hydrobromide
CID 174866228
tris(3-methylbutyl)phosphane
CID 14324804
CID 89367682
CID 89367682
trimethyl(4-methylpentyl)azanium chloride
CID 86159928

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide?
The IUPAC name of methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide (CID 173222555) is methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide.
What is the SMILES notation for methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide?
The canonical SMILES for methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide is Br.Br.CC(C)CCCP(C)CCP(C)CCCC(C)C.
What is the InChIKey of methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide?
The InChIKey is VVTADBJXRJSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36P2.2BrH/c1-15(2)9-7-11-17(5)13-14-18(6)12-8-10-16(3)4;;/h15-16H,7-14H2,1-6H3;2*1H.
What are the key properties of methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide?
methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide has a molecular weight of 452.24 g/mol, XLogP of 7.24, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[methyl(4-methylpentyl)phosphanyl]ethyl]-(4-methylpentyl)phosphane;dihydrobromide is sourced from PubChem (CID 173222555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).