butyl-pentyl-propylphosphane

C12H27P — CID 171559250

IUPACbutyl-pentyl-propylphosphane
SMILESCCCCCP(CCC)CCCC
InChIInChI=1S/C12H27P/c1-4-7-9-12-13(10-6-3)11-8-5-2/h4-12H2,1-3H3
InChIKeyCHVLPEAYELEBOP-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.87
Rot. Bonds9

About butyl-pentyl-propylphosphane

butyl-pentyl-propylphosphane (PubChem CID 171559250) has the molecular formula C12H27P and a molecular weight of 202.32 g/mol. Its IUPAC name is butyl-pentyl-propylphosphane.

Molecular Properties

Compound Namebutyl-pentyl-propylphosphane
PubChem CID171559250
Molecular FormulaC12H27P
Molecular Weight202.32 g/mol
Exact Mass202.19
IUPAC Namebutyl-pentyl-propylphosphane
SMILESCCCCCP(CCC)CCCC
InChIInChI=1S/C12H27P/c1-4-7-9-12-13(10-6-3)11-8-5-2/h4-12H2,1-3H3
InChIKeyCHVLPEAYELEBOP-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.87
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'}

Analyze butyl-pentyl-propylphosphane 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(decyl)phosphane
CID 171559269
dibutyl(tetradecyl)phosphane
CID 118319275
tripentylphosphane
CID 2784073
bis(6-dipropylphosphanylhexyl)-propylphosphane
CID 90111361
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
hexyl-octyl-pentylphosphane
CID 90108526
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
2-dioctadecylphosphanylethyl(dioctadecyl)phosphane
CID 21448799
2-diheptylphosphanylethyl(diheptyl)phosphane
CID 90110075
tris(trioctylphosphane);tungsten
CID 158972203
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of butyl-pentyl-propylphosphane?
The IUPAC name of butyl-pentyl-propylphosphane (CID 171559250) is butyl-pentyl-propylphosphane.
What is the SMILES notation for butyl-pentyl-propylphosphane?
The canonical SMILES for butyl-pentyl-propylphosphane is CCCCCP(CCC)CCCC.
What is the InChIKey of butyl-pentyl-propylphosphane?
The InChIKey is CHVLPEAYELEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-4-7-9-12-13(10-6-3)11-8-5-2/h4-12H2,1-3H3.
What are the key properties of butyl-pentyl-propylphosphane?
butyl-pentyl-propylphosphane has a molecular weight of 202.32 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-pentyl-propylphosphane is sourced from PubChem (CID 171559250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).