Butoxy-dec-1-en-2-yl-oxophosphanium

C14H28O2P+ — CID 134933792

IUPACbutoxy-dec-1-en-2-yl-oxophosphanium
SMILESCCCCCCCCC(=C)[P+](=O)OCCCC
InChIInChI=1S/C14H28O2P/c1-4-6-8-9-10-11-12-14(3)17(15)16-13-7-5-2/h3-13H2,1-2H3/q+1
InChIKeyBTZAEXQRYKENNS-UHFFFAOYSA-N
MW259.34 g/mol
LogP5.30
Rot. Bonds12

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

Butoxy-dec-1-en-2-yl-oxophosphanium (PubChem CID 134933792) has the molecular formula C14H28O2P+ and a molecular weight of 259.34 g/mol. Its IUPAC name is butoxy-dec-1-en-2-yl-oxophosphanium.

Molecular Properties

Compound NameButoxy-dec-1-en-2-yl-oxophosphanium
PubChem CID134933792
Molecular FormulaC14H28O2P+
Molecular Weight259.34 g/mol
Exact Mass259.18
IUPAC Namebutoxy-dec-1-en-2-yl-oxophosphanium
SMILESCCCCCCCCC(=C)[P+](=O)OCCCC
InChIInChI=1S/C14H28O2P/c1-4-6-8-9-10-11-12-14(3)17(15)16-13-7-5-2/h3-13H2,1-2H3/q+1
InChIKeyBTZAEXQRYKENNS-UHFFFAOYSA-N
XLogP5.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity214

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.34
LogP ≤ 55.30
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-dec-1-en-2-yl-oxophosphanium?
The IUPAC name of Butoxy-dec-1-en-2-yl-oxophosphanium (CID 134933792) is butoxy-dec-1-en-2-yl-oxophosphanium.
What is the SMILES notation for Butoxy-dec-1-en-2-yl-oxophosphanium?
The canonical SMILES for Butoxy-dec-1-en-2-yl-oxophosphanium is CCCCCCCCC(=C)[P+](=O)OCCCC.
What is the InChIKey of Butoxy-dec-1-en-2-yl-oxophosphanium?
The InChIKey is BTZAEXQRYKENNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2P/c1-4-6-8-9-10-11-12-14(3)17(15)16-13-7-5-2/h3-13H2,1-2H3/q+1.
What are the key properties of Butoxy-dec-1-en-2-yl-oxophosphanium?
Butoxy-dec-1-en-2-yl-oxophosphanium has a molecular weight of 259.34 g/mol, XLogP of 5.30, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Butoxy-dec-1-en-2-yl-oxophosphanium is sourced from PubChem (CID 134933792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).