2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium

C10H17NO3P+ — CID 20586516

IUPAC2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium
SMILESCCC1OCCC1C[P+](=O)OCCC#N
InChIInChI=1S/C10H17NO3P/c1-2-10-9(4-7-13-10)8-15(12)14-6-3-5-11/h9-10H,2-4,6-8H2,1H3/q+1
InChIKeyJVANXJPPJIDBNZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.47
Rot. Bonds6

About 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium

2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium (PubChem CID 20586516) has the molecular formula C10H17NO3P+ and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium.

Molecular Properties

Compound Name2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium
PubChem CID20586516
Molecular FormulaC10H17NO3P+
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium
SMILESCCC1OCCC1C[P+](=O)OCCC#N
InChIInChI=1S/C10H17NO3P/c1-2-10-9(4-7-13-10)8-15(12)14-6-3-5-11/h9-10H,2-4,6-8H2,1H3/q+1
InChIKeyJVANXJPPJIDBNZ-UHFFFAOYSA-N
XLogP2.47
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium?
The IUPAC name of 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium (CID 20586516) is 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium.
What is the SMILES notation for 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium?
The canonical SMILES for 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium is CCC1OCCC1C[P+](=O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium?
The InChIKey is JVANXJPPJIDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3P/c1-2-10-9(4-7-13-10)8-15(12)14-6-3-5-11/h9-10H,2-4,6-8H2,1H3/q+1.
What are the key properties of 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium?
2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium has a molecular weight of 230.22 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-[(2-ethyloxolan-3-yl)methyl]-oxophosphanium is sourced from PubChem (CID 20586516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).