benzyl-butyl-ethylphosphane

C13H21P — CID 54234955

IUPACbenzyl-butyl-ethylphosphane
SMILESCCCCP(CC)Cc1ccccc1
InChIInChI=1S/C13H21P/c1-3-5-11-14(4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyQLWPSIAYSYOYBQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP4.49
Rot. Bonds6

About benzyl-butyl-ethylphosphane

benzyl-butyl-ethylphosphane (PubChem CID 54234955) has the molecular formula C13H21P and a molecular weight of 208.29 g/mol. Its IUPAC name is benzyl-butyl-ethylphosphane.

Molecular Properties

Compound Namebenzyl-butyl-ethylphosphane
PubChem CID54234955
Molecular FormulaC13H21P
Molecular Weight208.29 g/mol
Exact Mass208.14
IUPAC Namebenzyl-butyl-ethylphosphane
SMILESCCCCP(CC)Cc1ccccc1
InChIInChI=1S/C13H21P/c1-3-5-11-14(4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
InChIKeyQLWPSIAYSYOYBQ-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-dibutylphosphanylethanamine
CID 139967291
palladium;bis(tribenzylphosphane)
CID 87652258
butyl(diphenyl)phosphane;chloroplatinum
CID 175284434
phenylmethanamine;trioctylphosphane
CID 174278232
benzyl-methyl-propylphosphane
CID 13024967
butyl-methyl-phenylphosphane
CID 14832966
benzyl-bromo-propylphosphane
CID 139995622
pentylbenzene;phosphorous acid
CID 174842783
dodecylbenzene;sulfane
CID 20560423
dibenzyl(2-dibenzylphosphanylethyl)phosphane;dichloronickel
CID 6102221
dibenzyl(1-dibenzylphosphanylhexyl)phosphane
CID 90108098
butyl-phenyl-trimethylsilylphosphane
CID 15076364

Frequently Asked Questions

What is the IUPAC name of benzyl-butyl-ethylphosphane?
The IUPAC name of benzyl-butyl-ethylphosphane (CID 54234955) is benzyl-butyl-ethylphosphane.
What is the SMILES notation for benzyl-butyl-ethylphosphane?
The canonical SMILES for benzyl-butyl-ethylphosphane is CCCCP(CC)Cc1ccccc1.
What is the InChIKey of benzyl-butyl-ethylphosphane?
The InChIKey is QLWPSIAYSYOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21P/c1-3-5-11-14(4-2)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of benzyl-butyl-ethylphosphane?
benzyl-butyl-ethylphosphane has a molecular weight of 208.29 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-butyl-ethylphosphane is sourced from PubChem (CID 54234955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).