[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium

C14H26O5P+ — CID 172679246

IUPAC[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
SMILESC=C(C)C(=O)OC(CC)(CC)CCCCCO[P+](=O)O
InChIInChI=1S/C14H25O5P/c1-5-14(6-2,19-13(15)12(3)4)10-8-7-9-11-18-20(16)17/h3,5-11H2,1-2,4H3/p+1
InChIKeyUBOTZCGGLLNAQB-UHFFFAOYSA-O
MW305.33 g/mol
LogP3.89
Rot. Bonds11

About [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium

[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium (PubChem CID 172679246) has the molecular formula C14H26O5P+ and a molecular weight of 305.33 g/mol. Its IUPAC name is [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
PubChem CID172679246
Molecular FormulaC14H26O5P+
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
SMILESC=C(C)C(=O)OC(CC)(CC)CCCCCO[P+](=O)O
InChIInChI=1S/C14H25O5P/c1-5-14(6-2,19-13(15)12(3)4)10-8-7-9-11-18-20(16)17/h3,5-11H2,1-2,4H3/p+1
InChIKeyUBOTZCGGLLNAQB-UHFFFAOYSA-O
XLogP3.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
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

hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
hydroxy-[5-(2-methylprop-2-enoyloxy)-5,5-diphenylpentoxy]-oxophosphanium
CID 172717545
4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium
CID 150378416
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
[1-(3,5-dimethyl-4-oxohex-5-en-3-yl)oxy-3-ethylpentan-3-yl] 2-methylprop-2-enoate
CID 139548622
hydroxy-[3-(2-methylprop-2-enoyloxy)-3,3-diphenylpropoxy]-oxophosphanium
CID 172837062
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
2-dodecoxypropan-2-yl 2-methylprop-2-enoate
CID 139797914
8,8-dimethyldecyl 2-methylprop-2-enoate
CID 58241592
[1-(3-ethyl-1-hydroxypentan-3-yl)oxy-3-methylpentan-3-yl] 2-methylprop-2-enoate
CID 89265326

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium?
The IUPAC name of [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium (CID 172679246) is [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium is C=C(C)C(=O)OC(CC)(CC)CCCCCO[P+](=O)O.
What is the InChIKey of [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium?
The InChIKey is UBOTZCGGLLNAQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25O5P/c1-5-14(6-2,19-13(15)12(3)4)10-8-7-9-11-18-20(16)17/h3,5-11H2,1-2,4H3/p+1.
What are the key properties of [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium?
[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium has a molecular weight of 305.33 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 172679246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).