dec-1-en-2-yl-ethoxy-oxophosphanium

C12H24O2P+ — CID 134992985

IUPACdec-1-en-2-yl-ethoxy-oxophosphanium
SMILESC=C(CCCCCCCC)[P+](=O)OCC
InChIInChI=1S/C12H24O2P/c1-4-6-7-8-9-10-11-12(3)15(13)14-5-2/h3-11H2,1-2H3/q+1
InChIKeyRTHQOLZCSNHIIE-UHFFFAOYSA-N
MW231.30 g/mol
LogP5.03
Rot. Bonds10

About dec-1-en-2-yl-ethoxy-oxophosphanium

dec-1-en-2-yl-ethoxy-oxophosphanium (PubChem CID 134992985) has the molecular formula C12H24O2P+ and a molecular weight of 231.30 g/mol. Its IUPAC name is dec-1-en-2-yl-ethoxy-oxophosphanium.

Molecular Properties

Compound Namedec-1-en-2-yl-ethoxy-oxophosphanium
PubChem CID134992985
Molecular FormulaC12H24O2P+
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Namedec-1-en-2-yl-ethoxy-oxophosphanium
SMILESC=C(CCCCCCCC)[P+](=O)OCC
InChIInChI=1S/C12H24O2P/c1-4-6-7-8-9-10-11-12(3)15(13)14-5-2/h3-11H2,1-2H3/q+1
InChIKeyRTHQOLZCSNHIIE-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.30
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dec-1-en-2-yl-ethoxy-oxophosphanium?
The IUPAC name of dec-1-en-2-yl-ethoxy-oxophosphanium (CID 134992985) is dec-1-en-2-yl-ethoxy-oxophosphanium.
What is the SMILES notation for dec-1-en-2-yl-ethoxy-oxophosphanium?
The canonical SMILES for dec-1-en-2-yl-ethoxy-oxophosphanium is C=C(CCCCCCCC)[P+](=O)OCC.
What is the InChIKey of dec-1-en-2-yl-ethoxy-oxophosphanium?
The InChIKey is RTHQOLZCSNHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2P/c1-4-6-7-8-9-10-11-12(3)15(13)14-5-2/h3-11H2,1-2H3/q+1.
What are the key properties of dec-1-en-2-yl-ethoxy-oxophosphanium?
dec-1-en-2-yl-ethoxy-oxophosphanium has a molecular weight of 231.30 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-en-2-yl-ethoxy-oxophosphanium is sourced from PubChem (CID 134992985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).