diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium

C19H34O6P+ — CID 88574232

IUPACdiethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium
SMILESCCO[P+](O)(OCC)O/C(=C\C(=O)OC)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H34O6P/c1-7-23-26(21,24-8-2)25-18(15-19(20)22-6)14-10-13-17(5)12-9-11-16(3)4/h11,13,15,21H,7-10,12,14H2,1-6H3/q+1/b17-13+,18-15-
InChIKeyYLBKDWQTJPUHCR-AYELKNGRSA-N
MW389.45 g/mol
LogP5.28
Rot. Bonds13

About diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium

diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium (PubChem CID 88574232) has the molecular formula C19H34O6P+ and a molecular weight of 389.45 g/mol. Its IUPAC name is diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium.

Molecular Properties

Compound Namediethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium
PubChem CID88574232
Molecular FormulaC19H34O6P+
Molecular Weight389.45 g/mol
Exact Mass389.21
IUPAC Namediethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium
SMILESCCO[P+](O)(OCC)O/C(=C\C(=O)OC)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H34O6P/c1-7-23-26(21,24-8-2)25-18(15-19(20)22-6)14-10-13-17(5)12-9-11-16(3)4/h11,13,15,21H,7-10,12,14H2,1-6H3/q+1/b17-13+,18-15-
InChIKeyYLBKDWQTJPUHCR-AYELKNGRSA-N
XLogP5.28
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium?
The IUPAC name of diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium (CID 88574232) is diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium.
What is the SMILES notation for diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium?
The canonical SMILES for diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium is CCO[P+](O)(OCC)O/C(=C\C(=O)OC)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium?
The InChIKey is YLBKDWQTJPUHCR-AYELKNGRSA-N. The full InChI is InChI=1S/C19H34O6P/c1-7-23-26(21,24-8-2)25-18(15-19(20)22-6)14-10-13-17(5)12-9-11-16(3)4/h11,13,15,21H,7-10,12,14H2,1-6H3/q+1/b17-13+,18-15-.
What are the key properties of diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium?
diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium has a molecular weight of 389.45 g/mol, XLogP of 5.28, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-[(2Z,6E)-1-methoxy-7,11-dimethyl-1-oxododeca-2,6,10-trien-3-yl]oxyphosphanium is sourced from PubChem (CID 88574232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).