2,5-diethyl-1-propan-2-ylphospholane

C11H23P — CID 121459830

IUPAC2,5-diethyl-1-propan-2-ylphospholane
SMILESCCC1CCC(CC)P1C(C)C
InChIInChI=1S/C11H23P/c1-5-10-7-8-11(6-2)12(10)9(3)4/h9-11H,5-8H2,1-4H3
InChIKeyNZOGWKXPWWPVAT-UHFFFAOYSA-N
MW186.28 g/mol
LogP4.23
Rot. Bonds3

About 2,5-diethyl-1-propan-2-ylphospholane

2,5-diethyl-1-propan-2-ylphospholane (PubChem CID 121459830) has the molecular formula C11H23P and a molecular weight of 186.28 g/mol. Its IUPAC name is 2,5-diethyl-1-propan-2-ylphospholane.

Molecular Properties

Compound Name2,5-diethyl-1-propan-2-ylphospholane
PubChem CID121459830
Molecular FormulaC11H23P
Molecular Weight186.28 g/mol
Exact Mass186.15
IUPAC Name2,5-diethyl-1-propan-2-ylphospholane
SMILESCCC1CCC(CC)P1C(C)C
InChIInChI=1S/C11H23P/c1-5-10-7-8-11(6-2)12(10)9(3)4/h9-11H,5-8H2,1-4H3
InChIKeyNZOGWKXPWWPVAT-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-propan-2-ylphospholane?
The IUPAC name of 2,5-diethyl-1-propan-2-ylphospholane (CID 121459830) is 2,5-diethyl-1-propan-2-ylphospholane.
What is the SMILES notation for 2,5-diethyl-1-propan-2-ylphospholane?
The canonical SMILES for 2,5-diethyl-1-propan-2-ylphospholane is CCC1CCC(CC)P1C(C)C.
What is the InChIKey of 2,5-diethyl-1-propan-2-ylphospholane?
The InChIKey is NZOGWKXPWWPVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23P/c1-5-10-7-8-11(6-2)12(10)9(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2,5-diethyl-1-propan-2-ylphospholane?
2,5-diethyl-1-propan-2-ylphospholane has a molecular weight of 186.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-propan-2-ylphospholane is sourced from PubChem (CID 121459830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).