[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium

C11H20O4P+ — CID 150378416

IUPAC[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium
SMILESC=C(C)C(=O)OC(CC)(CC)CCO[PH+]=O
InChIInChI=1S/C11H20O4P/c1-5-11(6-2,7-8-14-16-13)15-10(12)9(3)4/h16H,3,5-8H2,1-2,4H3/q+1
InChIKeyDNMRAPZLOKNAAQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP3.01
Rot. Bonds8

About [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium

[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium (PubChem CID 150378416) has the molecular formula C11H20O4P+ and a molecular weight of 247.25 g/mol. Its IUPAC name is [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium.

Molecular Properties

Compound Name[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium
PubChem CID150378416
Molecular FormulaC11H20O4P+
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium
SMILESC=C(C)C(=O)OC(CC)(CC)CCO[PH+]=O
InChIInChI=1S/C11H20O4P/c1-5-11(6-2,7-8-14-16-13)15-10(12)9(3)4/h16H,3,5-8H2,1-2,4H3/q+1
InChIKeyDNMRAPZLOKNAAQ-UHFFFAOYSA-N
XLogP3.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[1-(3,5-dimethyl-4-oxohex-5-en-3-yl)oxy-3-ethylpentan-3-yl] 2-methylprop-2-enoate
CID 139548622
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
CID 172679246
3-(phosphonooxymethyl)pentan-3-yl 2-methylprop-2-enoate
CID 87476353
[1-(3-ethyl-1-hydroxypentan-3-yl)oxy-3-methylpentan-3-yl] 2-methylprop-2-enoate
CID 89265326
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl] 2-methylprop-2-enoate
CID 123706360
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
3-ethylpentan-3-yl 2-fluoroprop-2-enoate
CID 122693494
(3-ethyl-2,4-dimethylhexan-3-yl) 2-methylprop-2-enoate
CID 160518137
[4-ethyl-1,4-dihydroxy-3-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 140807532

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium?
The IUPAC name of [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium (CID 150378416) is [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium.
What is the SMILES notation for [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium?
The canonical SMILES for [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium is C=C(C)C(=O)OC(CC)(CC)CCO[PH+]=O.
What is the InChIKey of [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium?
The InChIKey is DNMRAPZLOKNAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4P/c1-5-11(6-2,7-8-14-16-13)15-10(12)9(3)4/h16H,3,5-8H2,1-2,4H3/q+1.
What are the key properties of [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium?
[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium has a molecular weight of 247.25 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium is sourced from PubChem (CID 150378416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).