2,5-diethyl-1-pentylphospholane

C13H27P — CID 140639652

IUPAC2,5-diethyl-1-pentylphospholane
SMILESCCCCCP1C(CC)CCC1CC
InChIInChI=1S/C13H27P/c1-4-7-8-11-14-12(5-2)9-10-13(14)6-3/h12-13H,4-11H2,1-3H3
InChIKeyACBWITIYNWQTDY-UHFFFAOYSA-N
MW214.33 g/mol
LogP5.01
Rot. Bonds6

About 2,5-diethyl-1-pentylphospholane

2,5-diethyl-1-pentylphospholane (PubChem CID 140639652) has the molecular formula C13H27P and a molecular weight of 214.33 g/mol. Its IUPAC name is 2,5-diethyl-1-pentylphospholane.

Molecular Properties

Compound Name2,5-diethyl-1-pentylphospholane
PubChem CID140639652
Molecular FormulaC13H27P
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name2,5-diethyl-1-pentylphospholane
SMILESCCCCCP1C(CC)CCC1CC
InChIInChI=1S/C13H27P/c1-4-7-8-11-14-12(5-2)9-10-13(14)6-3/h12-13H,4-11H2,1-3H3
InChIKeyACBWITIYNWQTDY-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.33
LogP ≤ 55.01
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'}

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Related Compounds

hexane;tungsten
CID 162105258
1,2-dimethylcyclobutane;pentane
CID 142846915
hexane;pentane;propane
CID 165146348
heptane;hexane;octane;pentane
CID 159214735
tetrakis(nonane);bis(pentane)
CID 158390230
octane;pentane
CID 19101448
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
2-pentyl-6-oxa-2-phosphabicyclo[3.1.0]hexane
CID 88702463
butane;hexane;methane;pentane
CID 162085022
ethane;heptane;pentane
CID 142269041
1-cyclopentyl-2,5-diethylphospholane
CID 91984020
1-octylphospholane
CID 66657464

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-pentylphospholane?
The IUPAC name of 2,5-diethyl-1-pentylphospholane (CID 140639652) is 2,5-diethyl-1-pentylphospholane.
What is the SMILES notation for 2,5-diethyl-1-pentylphospholane?
The canonical SMILES for 2,5-diethyl-1-pentylphospholane is CCCCCP1C(CC)CCC1CC.
What is the InChIKey of 2,5-diethyl-1-pentylphospholane?
The InChIKey is ACBWITIYNWQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27P/c1-4-7-8-11-14-12(5-2)9-10-13(14)6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2,5-diethyl-1-pentylphospholane?
2,5-diethyl-1-pentylphospholane has a molecular weight of 214.33 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-pentylphospholane is sourced from PubChem (CID 140639652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).