diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite

C10H19O3P — CID 58067917

IUPACdiethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite
SMILESC=C(C)/C=C(/C)OP(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-6-11-14(12-7-2)13-10(5)8-9(3)4/h8H,3,6-7H2,1-2,4-5H3/b10-8-
InChIKeyWUCRMZIBEZZGPG-NTMALXAHSA-N
MW218.23 g/mol
LogP3.78
Rot. Bonds7

About diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite

diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite (PubChem CID 58067917) has the molecular formula C10H19O3P and a molecular weight of 218.23 g/mol. Its IUPAC name is diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite.

Molecular Properties

Compound Namediethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite
PubChem CID58067917
Molecular FormulaC10H19O3P
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Namediethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite
SMILESC=C(C)/C=C(/C)OP(OCC)OCC
InChIInChI=1S/C10H19O3P/c1-6-11-14(12-7-2)13-10(5)8-9(3)4/h8H,3,6-7H2,1-2,4-5H3/b10-8-
InChIKeyWUCRMZIBEZZGPG-NTMALXAHSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite?
The IUPAC name of diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite (CID 58067917) is diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite.
What is the SMILES notation for diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite?
The canonical SMILES for diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite is C=C(C)/C=C(/C)OP(OCC)OCC.
What is the InChIKey of diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite?
The InChIKey is WUCRMZIBEZZGPG-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19O3P/c1-6-11-14(12-7-2)13-10(5)8-9(3)4/h8H,3,6-7H2,1-2,4-5H3/b10-8-.
What are the key properties of diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite?
diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite has a molecular weight of 218.23 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(2Z)-4-methylpenta-2,4-dien-2-yl] phosphite is sourced from PubChem (CID 58067917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).