oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium

C16H30O7P+ — CID 150767688

IUPACoxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium
SMILESC=CC(=O)[P+](=O)C(CC(OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C16H30O7P/c1-7-14(17)24(18)16(22-11-5,23-12-6)13-15(19-8-2,20-9-3)21-10-4/h7H,1,8-13H2,2-6H3/q+1
InChIKeyOWHGLWJZDRHXDE-UHFFFAOYSA-N
MW365.38 g/mol
LogP3.41
Rot. Bonds15

About oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium

oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium (PubChem CID 150767688) has the molecular formula C16H30O7P+ and a molecular weight of 365.38 g/mol. Its IUPAC name is oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium.

Molecular Properties

Compound Nameoxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium
PubChem CID150767688
Molecular FormulaC16H30O7P+
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Nameoxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium
SMILESC=CC(=O)[P+](=O)C(CC(OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C16H30O7P/c1-7-14(17)24(18)16(22-11-5,23-12-6)13-15(19-8-2,20-9-3)21-10-4/h7H,1,8-13H2,2-6H3/q+1
InChIKeyOWHGLWJZDRHXDE-UHFFFAOYSA-N
XLogP3.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

oxo-(1,1,3,3,3-pentaheptoxypropyl)-prop-2-enoylphosphanium
CID 150185956
prop-2-enoic acid;1,1,1-triethoxypropane
CID 174826427
prop-2-enoic acid;4,4,4-triethoxybutan-1-ol
CID 159483376
2-ethoxy-2-methyl-3-oxopent-4-enoic acid
CID 174884314
oxo-di(prop-2-enoyl)phosphanium
CID 56989875
3-ethoxy-3-methylpent-4-en-2-one
CID 71399854
oxo-prop-2-enoyl-(1,2,2,2-tetraoctoxyethyl)phosphanium
CID 151620697
buta-1,3-diene;diethoxy(oxo)phosphanium
CID 88766369
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
ethyl 2-ethenylbut-2-enoate
CID 123198246
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783

Frequently Asked Questions

What is the IUPAC name of oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium?
The IUPAC name of oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium (CID 150767688) is oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium.
What is the SMILES notation for oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium?
The canonical SMILES for oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium is C=CC(=O)[P+](=O)C(CC(OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium?
The InChIKey is OWHGLWJZDRHXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O7P/c1-7-14(17)24(18)16(22-11-5,23-12-6)13-15(19-8-2,20-9-3)21-10-4/h7H,1,8-13H2,2-6H3/q+1.
What are the key properties of oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium?
oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium has a molecular weight of 365.38 g/mol, XLogP of 3.41, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(1,1,3,3,3-pentaethoxypropyl)-prop-2-enoylphosphanium is sourced from PubChem (CID 150767688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).