1,1,2,3-tetraethoxyprop-2-en-1-ol

C11H22O5 — CID 54270540

IUPAC1,1,2,3-tetraethoxyprop-2-en-1-ol
SMILESCCOC=C(OCC)C(O)(OCC)OCC
InChIInChI=1S/C11H22O5/c1-5-13-9-10(14-6-2)11(12,15-7-3)16-8-4/h9,12H,5-8H2,1-4H3
InChIKeyRJUIPPUWOQKTIA-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.62
Rot. Bonds9

About 1,1,2,3-tetraethoxyprop-2-en-1-ol

1,1,2,3-tetraethoxyprop-2-en-1-ol (PubChem CID 54270540) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,1,2,3-tetraethoxyprop-2-en-1-ol.

Molecular Properties

Compound Name1,1,2,3-tetraethoxyprop-2-en-1-ol
PubChem CID54270540
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name1,1,2,3-tetraethoxyprop-2-en-1-ol
SMILESCCOC=C(OCC)C(O)(OCC)OCC
InChIInChI=1S/C11H22O5/c1-5-13-9-10(14-6-2)11(12,15-7-3)16-8-4/h9,12H,5-8H2,1-4H3
InChIKeyRJUIPPUWOQKTIA-UHFFFAOYSA-N
XLogP1.62
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,3-Tetraethoxyprop-2-en-1-ol
CID 53672269
1,1,2,3-Tetrabutoxyprop-2-en-1-ol
CID 53692966
2,3,3-Triethoxyprop-2-en-1-ol
CID 54359045
2-(1,2-Diethoxyprop-1-enoxy)ethanol
CID 87248404
2-[2-[2-(1,2-Diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
CID 87248467
2-[1,1-Bis(2-hydroxyethoxy)prop-1-en-2-yloxy]ethanol
CID 88025654
(Z)-1,1,2,3-tetraethoxyprop-2-en-1-ol
CID 88155151
1,1,3,3-Tetraethoxyprop-2-en-1-ol
CID 88155154
1,1,2,3-Tetrapropoxyprop-1-ene
CID 175459954
2,2-dimethyl-4H-1,3-dioxin-5-ol
CID 71353458

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetraethoxyprop-2-en-1-ol?
The IUPAC name of 1,1,2,3-tetraethoxyprop-2-en-1-ol (CID 54270540) is 1,1,2,3-tetraethoxyprop-2-en-1-ol.
What is the SMILES notation for 1,1,2,3-tetraethoxyprop-2-en-1-ol?
The canonical SMILES for 1,1,2,3-tetraethoxyprop-2-en-1-ol is CCOC=C(OCC)C(O)(OCC)OCC.
What is the InChIKey of 1,1,2,3-tetraethoxyprop-2-en-1-ol?
The InChIKey is RJUIPPUWOQKTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-5-13-9-10(14-6-2)11(12,15-7-3)16-8-4/h9,12H,5-8H2,1-4H3.
What are the key properties of 1,1,2,3-tetraethoxyprop-2-en-1-ol?
1,1,2,3-tetraethoxyprop-2-en-1-ol has a molecular weight of 234.29 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetraethoxyprop-2-en-1-ol is sourced from PubChem (CID 54270540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).