ethoxy-oct-1-en-2-yl-oxophosphanium

C10H20O2P+ — CID 11816552

IUPACethoxy-oct-1-en-2-yl-oxophosphanium
SMILESC=C(CCCCCC)[P+](=O)OCC
InChIInChI=1S/C10H20O2P/c1-4-6-7-8-9-10(3)13(11)12-5-2/h3-9H2,1-2H3/q+1
InChIKeyXQFYNFMLFWHVKB-UHFFFAOYSA-N
MW203.24 g/mol
LogP4.25
Rot. Bonds8

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

ethoxy-oct-1-en-2-yl-oxophosphanium (PubChem CID 11816552) has the molecular formula C10H20O2P+ and a molecular weight of 203.24 g/mol. Its IUPAC name is ethoxy-oct-1-en-2-yl-oxophosphanium.

Molecular Properties

Compound Nameethoxy-oct-1-en-2-yl-oxophosphanium
PubChem CID11816552
Molecular FormulaC10H20O2P+
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethoxy-oct-1-en-2-yl-oxophosphanium
SMILESC=C(CCCCCC)[P+](=O)OCC
InChIInChI=1S/C10H20O2P/c1-4-6-7-8-9-10(3)13(11)12-5-2/h3-9H2,1-2H3/q+1
InChIKeyXQFYNFMLFWHVKB-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 54.25
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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Related Compounds

henicos-1-en-2-ol
CID 90735098
ethoxy-octyl-oxophosphanium
CID 14512429
2-methoxyicos-1-ene
CID 175283491
3-methylidenetetradecanoic acid
CID 89137857
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
CID 57488644
CID 57488644
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
2-hydroxynon-1-en-4-one
CID 87923042
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
dihydroxy(oxo)phosphanium;octanoic acid
CID 158603772
dodecanoic acid;bis(2-methylprop-1-ene)
CID 160518474

Frequently Asked Questions

What is the IUPAC name of ethoxy-oct-1-en-2-yl-oxophosphanium?
The IUPAC name of ethoxy-oct-1-en-2-yl-oxophosphanium (CID 11816552) is ethoxy-oct-1-en-2-yl-oxophosphanium.
What is the SMILES notation for ethoxy-oct-1-en-2-yl-oxophosphanium?
The canonical SMILES for ethoxy-oct-1-en-2-yl-oxophosphanium is C=C(CCCCCC)[P+](=O)OCC.
What is the InChIKey of ethoxy-oct-1-en-2-yl-oxophosphanium?
The InChIKey is XQFYNFMLFWHVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2P/c1-4-6-7-8-9-10(3)13(11)12-5-2/h3-9H2,1-2H3/q+1.
What are the key properties of ethoxy-oct-1-en-2-yl-oxophosphanium?
ethoxy-oct-1-en-2-yl-oxophosphanium has a molecular weight of 203.24 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oct-1-en-2-yl-oxophosphanium is sourced from PubChem (CID 11816552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).