2-ethylhexyl prop-2-enyl hydrogen phosphate

C11H23O4P — CID 19842412

IUPAC2-ethylhexyl prop-2-enyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OCC(CC)CCCC
InChIInChI=1S/C11H23O4P/c1-4-7-8-11(6-3)10-15-16(12,13)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,12,13)
InChIKeyQFULTBSRSYRXAJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.52
Rot. Bonds10

About 2-ethylhexyl prop-2-enyl hydrogen phosphate

2-ethylhexyl prop-2-enyl hydrogen phosphate (PubChem CID 19842412) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-ethylhexyl prop-2-enyl hydrogen phosphate.

Molecular Properties

Compound Name2-ethylhexyl prop-2-enyl hydrogen phosphate
PubChem CID19842412
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Name2-ethylhexyl prop-2-enyl hydrogen phosphate
SMILESC=CCOP(=O)(O)OCC(CC)CCCC
InChIInChI=1S/C11H23O4P/c1-4-7-8-11(6-3)10-15-16(12,13)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,12,13)
InChIKeyQFULTBSRSYRXAJ-UHFFFAOYSA-N
XLogP3.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexoxy-oxo-prop-2-enoxyphosphanium
CID 21304178
3-[[Methyl(prop-2-enyl)phosphoryl]oxymethyl]heptane
CID 53773568
Bis(2-ethylhexyl) prop-2-enyl phosphate
CID 54101756
3-[[2-Ethylhexoxy(prop-2-enyl)phosphoryl]oxymethyl]heptane
CID 54362211
3-Butyl-3-ethyl-2-prop-2-enoxy-1,2lambda5-oxaphosphetane 2-oxide
CID 58819476
2,6-Dimethyloct-7-enyl dihydrogen phosphate
CID 87240044
Bis(but-2-enyl) 2-ethylhexyl phosphate
CID 88514553
Tris(2-prop-2-enylhexyl) phosphate
CID 88745801
But-3-enyl-(2-ethylhexoxy)-oxophosphanium
CID 88759680
2-Ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane
CID 90740676
6-Methylheptoxy(prop-2-enyl)phosphinic acid
CID 118354792
4-Prop-2-enylhept-6-enyl dihydrogen phosphate
CID 121482509

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl prop-2-enyl hydrogen phosphate?
The IUPAC name of 2-ethylhexyl prop-2-enyl hydrogen phosphate (CID 19842412) is 2-ethylhexyl prop-2-enyl hydrogen phosphate.
What is the SMILES notation for 2-ethylhexyl prop-2-enyl hydrogen phosphate?
The canonical SMILES for 2-ethylhexyl prop-2-enyl hydrogen phosphate is C=CCOP(=O)(O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl prop-2-enyl hydrogen phosphate?
The InChIKey is QFULTBSRSYRXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-4-7-8-11(6-3)10-15-16(12,13)14-9-5-2/h5,11H,2,4,6-10H2,1,3H3,(H,12,13).
What are the key properties of 2-ethylhexyl prop-2-enyl hydrogen phosphate?
2-ethylhexyl prop-2-enyl hydrogen phosphate has a molecular weight of 250.27 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl prop-2-enyl hydrogen phosphate is sourced from PubChem (CID 19842412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).