2,5-dimethyl-1-propan-2-ylphospholane

C9H19P — CID 85435021

IUPAC2,5-dimethyl-1-propan-2-ylphospholane
SMILESCC(C)P1C(C)CCC1C
InChIInChI=1S/C9H19P/c1-7(2)10-8(3)5-6-9(10)4/h7-9H,5-6H2,1-4H3
InChIKeyBLXWLTRBNNMWRE-UHFFFAOYSA-N
MW158.22 g/mol
LogP3.45
Rot. Bonds1

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

2,5-dimethyl-1-propan-2-ylphospholane (PubChem CID 85435021) has the molecular formula C9H19P and a molecular weight of 158.22 g/mol. Its IUPAC name is 2,5-dimethyl-1-propan-2-ylphospholane.

Molecular Properties

Compound Name2,5-dimethyl-1-propan-2-ylphospholane
PubChem CID85435021
Molecular FormulaC9H19P
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2,5-dimethyl-1-propan-2-ylphospholane
SMILESCC(C)P1C(C)CCC1C
InChIInChI=1S/C9H19P/c1-7(2)10-8(3)5-6-9(10)4/h7-9H,5-6H2,1-4H3
InChIKeyBLXWLTRBNNMWRE-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 53.45
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-dimethyl-1-propan-2-ylphospholane?
The IUPAC name of 2,5-dimethyl-1-propan-2-ylphospholane (CID 85435021) is 2,5-dimethyl-1-propan-2-ylphospholane.
What is the SMILES notation for 2,5-dimethyl-1-propan-2-ylphospholane?
The canonical SMILES for 2,5-dimethyl-1-propan-2-ylphospholane is CC(C)P1C(C)CCC1C.
What is the InChIKey of 2,5-dimethyl-1-propan-2-ylphospholane?
The InChIKey is BLXWLTRBNNMWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19P/c1-7(2)10-8(3)5-6-9(10)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-propan-2-ylphospholane?
2,5-dimethyl-1-propan-2-ylphospholane has a molecular weight of 158.22 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-propan-2-ylphospholane is sourced from PubChem (CID 85435021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).