3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane

C23H50P2 — CID 22217709

IUPAC3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane
SMILESCCC(C)(C)P(CCCP(C(C)(C)CC)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C23H50P2/c1-13-20(5,6)24(21(7,8)14-2)18-17-19-25(22(9,10)15-3)23(11,12)16-4/h13-19H2,1-12H3
InChIKeyORXGMXQHTBPQSK-UHFFFAOYSA-N
MW388.60 g/mol
LogP9.09
Rot. Bonds12

About 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane

3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane (PubChem CID 22217709) has the molecular formula C23H50P2 and a molecular weight of 388.60 g/mol. Its IUPAC name is 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane.

Molecular Properties

Compound Name3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane
PubChem CID22217709
Molecular FormulaC23H50P2
Molecular Weight388.60 g/mol
Exact Mass388.34
IUPAC Name3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane
SMILESCCC(C)(C)P(CCCP(C(C)(C)CC)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C23H50P2/c1-13-20(5,6)24(21(7,8)14-2)18-17-19-25(22(9,10)15-3)23(11,12)16-4/h13-19H2,1-12H3
InChIKeyORXGMXQHTBPQSK-UHFFFAOYSA-N
XLogP9.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)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

bis(2-methylbutan-2-yl)-(2-phenoxyethyl)phosphane
CID 139972833
butyl-tert-butyl-(2-methyl-1-phosphanylpropan-2-yl)phosphane
CID 175949871
2-methylbutan-2-yl-di(propan-2-yl)phosphane
CID 87456053
ditert-butyl(propyl)phosphane
CID 15264580
ditert-butyl-(14-ditert-butylphosphanyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluorotetradecyl)phosphane
CID 102074563
bis(3-ditert-butylphosphanylpropan-1-amine);ruthenium(2+);dichloride
CID 146156617
methyl-(2-methylbutan-2-yl)-octan-4-ylphosphane
CID 123427716
hafnium;3-methylpentan-3-ol
CID 154175223
azane;3-methylpentan-3-ol
CID 87107560
pentakis(2,2-dimethylbutane);methane
CID 161368616
tetrakis(2,2-dimethylbutane);methane
CID 158609630
bis(2,2-dimethylbutane);tungsten
CID 157126936

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane?
The IUPAC name of 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane (CID 22217709) is 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane.
What is the SMILES notation for 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane?
The canonical SMILES for 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane is CCC(C)(C)P(CCCP(C(C)(C)CC)C(C)(C)CC)C(C)(C)CC.
What is the InChIKey of 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane?
The InChIKey is ORXGMXQHTBPQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50P2/c1-13-20(5,6)24(21(7,8)14-2)18-17-19-25(22(9,10)15-3)23(11,12)16-4/h13-19H2,1-12H3.
What are the key properties of 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane?
3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane has a molecular weight of 388.60 g/mol, XLogP of 9.09, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylbutan-2-yl)phosphanyl]propyl-bis(2-methylbutan-2-yl)phosphane is sourced from PubChem (CID 22217709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).