(Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene

C10H21O5P — CID 23268151

IUPAC(Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene
SMILESCCOP(=O)(OCC)/C(COC)=C(/C)OC
InChIInChI=1S/C10H21O5P/c1-6-14-16(11,15-7-2)10(8-12-4)9(3)13-5/h6-8H2,1-5H3/b10-9-
InChIKeyGIJOVDICGQGWPC-KTKRTIGZSA-N
MW252.25 g/mol
LogP2.78
Rot. Bonds8

About (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene

(Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene (PubChem CID 23268151) has the molecular formula C10H21O5P and a molecular weight of 252.25 g/mol. Its IUPAC name is (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene.

Molecular Properties

Compound Name(Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene
PubChem CID23268151
Molecular FormulaC10H21O5P
Molecular Weight252.25 g/mol
Exact Mass252.11
IUPAC Name(Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene
SMILESCCOP(=O)(OCC)/C(COC)=C(/C)OC
InChIInChI=1S/C10H21O5P/c1-6-14-16(11,15-7-2)10(8-12-4)9(3)13-5/h6-8H2,1-5H3/b10-9-
InChIKeyGIJOVDICGQGWPC-KTKRTIGZSA-N
XLogP2.78
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene?
The IUPAC name of (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene (CID 23268151) is (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene.
What is the SMILES notation for (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene?
The canonical SMILES for (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene is CCOP(=O)(OCC)/C(COC)=C(/C)OC.
What is the InChIKey of (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene?
The InChIKey is GIJOVDICGQGWPC-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H21O5P/c1-6-14-16(11,15-7-2)10(8-12-4)9(3)13-5/h6-8H2,1-5H3/b10-9-.
What are the key properties of (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene?
(Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene has a molecular weight of 252.25 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-diethoxyphosphoryl-1,3-dimethoxybut-2-ene is sourced from PubChem (CID 23268151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).