butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium

C12H24O2P+ — CID 11172316

IUPACbutoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
SMILESCCC/C=C(\CCC)[P+](=O)OCCCC
InChIInChI=1S/C12H24O2P/c1-4-7-10-12(9-6-3)15(13)14-11-8-5-2/h10H,4-9,11H2,1-3H3/q+1/b12-10+
InChIKeyAKGNVBQVXFPCRU-ZRDIBKRKSA-N
MW231.30 g/mol
LogP5.03
Rot. Bonds9

About butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium

butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium (PubChem CID 11172316) has the molecular formula C12H24O2P+ and a molecular weight of 231.30 g/mol. Its IUPAC name is butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium.

Molecular Properties

Compound Namebutoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
PubChem CID11172316
Molecular FormulaC12H24O2P+
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Namebutoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
SMILESCCC/C=C(\CCC)[P+](=O)OCCCC
InChIInChI=1S/C12H24O2P/c1-4-7-10-12(9-6-3)15(13)14-11-8-5-2/h10H,4-9,11H2,1-3H3/q+1/b12-10+
InChIKeyAKGNVBQVXFPCRU-ZRDIBKRKSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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 butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
The IUPAC name of butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium (CID 11172316) is butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium.
What is the SMILES notation for butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
The canonical SMILES for butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium is CCC/C=C(\CCC)[P+](=O)OCCCC.
What is the InChIKey of butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
The InChIKey is AKGNVBQVXFPCRU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H24O2P/c1-4-7-10-12(9-6-3)15(13)14-11-8-5-2/h10H,4-9,11H2,1-3H3/q+1/b12-10+.
What are the key properties of butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium has a molecular weight of 231.30 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium is sourced from PubChem (CID 11172316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).