bis(triethylphosphane);hydrochloride

C12H31ClP2 — CID 172791089

IUPACbis(triethylphosphane);hydrochloride
SMILESCCP(CC)CC.CCP(CC)CC.Cl
InChIInChI=1S/2C6H15P.ClH/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;1H
InChIKeyPOQFZXNWIOCARQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP5.48
Rot. Bonds6

About bis(triethylphosphane);hydrochloride

bis(triethylphosphane);hydrochloride (PubChem CID 172791089) has the molecular formula C12H31ClP2 and a molecular weight of 272.78 g/mol. Its IUPAC name is bis(triethylphosphane);hydrochloride.

Molecular Properties

Compound Namebis(triethylphosphane);hydrochloride
PubChem CID172791089
Molecular FormulaC12H31ClP2
Molecular Weight272.78 g/mol
Exact Mass272.16
IUPAC Namebis(triethylphosphane);hydrochloride
SMILESCCP(CC)CC.CCP(CC)CC.Cl
InChIInChI=1S/2C6H15P.ClH/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;1H
InChIKeyPOQFZXNWIOCARQ-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.78
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(triethylphosphane);hydrochloride 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

hafnium;triethylphosphane
CID 158040636
triethylphosphane;trihydrofluoride
CID 170563479
triethylphosphane;zirconium(2+);dichloride
CID 159860851
nickel(2+);tetrakis(triethylphosphane);dichloride
CID 173060513
tribromogold;triethylphosphane
CID 57348370
iodosilver;tetrakis(triethylphosphane)
CID 45049692
chloroplatinum;bis(triethylphosphane)
CID 85447619
formaldehyde;nickel;bis(triethylphosphane)
CID 173175797
gold(1+);triethylphosphane;azide
CID 166731387
diethyl(propyl)phosphane
CID 19828866
oxalic acid;platinum;bis(triethylphosphane);hydrate
CID 71311463
oxalate;palladium;bis(triethylphosphane)
CID 101214779

Frequently Asked Questions

What is the IUPAC name of bis(triethylphosphane);hydrochloride?
The IUPAC name of bis(triethylphosphane);hydrochloride (CID 172791089) is bis(triethylphosphane);hydrochloride.
What is the SMILES notation for bis(triethylphosphane);hydrochloride?
The canonical SMILES for bis(triethylphosphane);hydrochloride is CCP(CC)CC.CCP(CC)CC.Cl.
What is the InChIKey of bis(triethylphosphane);hydrochloride?
The InChIKey is POQFZXNWIOCARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15P.ClH/c2*1-4-7(5-2)6-3;/h2*4-6H2,1-3H3;1H.
What are the key properties of bis(triethylphosphane);hydrochloride?
bis(triethylphosphane);hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylphosphane);hydrochloride is sourced from PubChem (CID 172791089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).