2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane

C11H28NOP — CID 142361688

IUPAC2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane
SMILESCC.CC.CCCN1CC(C)OP1C
InChIInChI=1S/C7H16NOP.2C2H6/c1-4-5-8-6-7(2)9-10(8)3;2*1-2/h7H,4-6H2,1-3H3;2*1-2H3
InChIKeySVQTVUXEXSORDP-UHFFFAOYSA-N
MW221.32 g/mol
LogP4.11
Rot. Bonds2

About 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane

2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane (PubChem CID 142361688) has the molecular formula C11H28NOP and a molecular weight of 221.32 g/mol. Its IUPAC name is 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane
PubChem CID142361688
Molecular FormulaC11H28NOP
Molecular Weight221.32 g/mol
Exact Mass221.19
IUPAC Name2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane
SMILESCC.CC.CCCN1CC(C)OP1C
InChIInChI=1S/C7H16NOP.2C2H6/c1-4-5-8-6-7(2)9-10(8)3;2*1-2/h7H,4-6H2,1-3H3;2*1-2H3
InChIKeySVQTVUXEXSORDP-UHFFFAOYSA-N
XLogP4.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-propyl-1,3,2-oxazaphospholidine;ethane?
The IUPAC name of 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane (CID 142361688) is 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane.
What is the SMILES notation for 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane?
The canonical SMILES for 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane is CC.CC.CCCN1CC(C)OP1C.
What is the InChIKey of 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane?
The InChIKey is SVQTVUXEXSORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NOP.2C2H6/c1-4-5-8-6-7(2)9-10(8)3;2*1-2/h7H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane?
2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane has a molecular weight of 221.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propyl-1,3,2-oxazaphospholidine;ethane is sourced from PubChem (CID 142361688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).