propanoate;triethyl(propan-2-yl)phosphanium

C12H27O2P — CID 18356155

IUPACpropanoate;triethyl(propan-2-yl)phosphanium
SMILESCCC(=O)[O-].CC[P+](CC)(CC)C(C)C
InChIInChI=1S/C9H22P.C3H6O2/c1-6-10(7-2,8-3)9(4)5;1-2-3(4)5/h9H,6-8H2,1-5H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyMXNWLZIOAADMSF-UHFFFAOYSA-M
MW234.32 g/mol
LogP2.62
Rot. Bonds5

About propanoate;triethyl(propan-2-yl)phosphanium

propanoate;triethyl(propan-2-yl)phosphanium (PubChem CID 18356155) has the molecular formula C12H27O2P and a molecular weight of 234.32 g/mol. Its IUPAC name is propanoate;triethyl(propan-2-yl)phosphanium.

Molecular Properties

Compound Namepropanoate;triethyl(propan-2-yl)phosphanium
PubChem CID18356155
Molecular FormulaC12H27O2P
Molecular Weight234.32 g/mol
Exact Mass234.17
IUPAC Namepropanoate;triethyl(propan-2-yl)phosphanium
SMILESCCC(=O)[O-].CC[P+](CC)(CC)C(C)C
InChIInChI=1S/C9H22P.C3H6O2/c1-6-10(7-2,8-3)9(4)5;1-2-3(4)5/h9H,6-8H2,1-5H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyMXNWLZIOAADMSF-UHFFFAOYSA-M
XLogP2.62
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.62
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 propanoate;triethyl(propan-2-yl)phosphanium?
The IUPAC name of propanoate;triethyl(propan-2-yl)phosphanium (CID 18356155) is propanoate;triethyl(propan-2-yl)phosphanium.
What is the SMILES notation for propanoate;triethyl(propan-2-yl)phosphanium?
The canonical SMILES for propanoate;triethyl(propan-2-yl)phosphanium is CCC(=O)[O-].CC[P+](CC)(CC)C(C)C.
What is the InChIKey of propanoate;triethyl(propan-2-yl)phosphanium?
The InChIKey is MXNWLZIOAADMSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22P.C3H6O2/c1-6-10(7-2,8-3)9(4)5;1-2-3(4)5/h9H,6-8H2,1-5H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of propanoate;triethyl(propan-2-yl)phosphanium?
propanoate;triethyl(propan-2-yl)phosphanium has a molecular weight of 234.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoate;triethyl(propan-2-yl)phosphanium is sourced from PubChem (CID 18356155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).