(E)-1,3,3-triethoxyprop-1-ene

C9H18O3 — CID 5369370

IUPAC(E)-1,3,3-triethoxyprop-1-ene
SMILESCCO/C=C/C(OCC)OCC
InChIInChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7+
InChIKeyATAQLIDYIFWHFW-BQYQJAHWSA-N
MW174.24 g/mol
LogP1.94
Rot. Bonds7

About (E)-1,3,3-triethoxyprop-1-ene

(E)-1,3,3-triethoxyprop-1-ene (PubChem CID 5369370) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (E)-1,3,3-triethoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1,3,3-triethoxyprop-1-ene
PubChem CID5369370
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(E)-1,3,3-triethoxyprop-1-ene
SMILESCCO/C=C/C(OCC)OCC
InChIInChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7+
InChIKeyATAQLIDYIFWHFW-BQYQJAHWSA-N
XLogP1.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-1,3,3-triethoxyprop-1-ene?
The IUPAC name of (E)-1,3,3-triethoxyprop-1-ene (CID 5369370) is (E)-1,3,3-triethoxyprop-1-ene.
What is the SMILES notation for (E)-1,3,3-triethoxyprop-1-ene?
The canonical SMILES for (E)-1,3,3-triethoxyprop-1-ene is CCO/C=C/C(OCC)OCC.
What is the InChIKey of (E)-1,3,3-triethoxyprop-1-ene?
The InChIKey is ATAQLIDYIFWHFW-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-10-8-7-9(11-5-2)12-6-3/h7-9H,4-6H2,1-3H3/b8-7+.
What are the key properties of (E)-1,3,3-triethoxyprop-1-ene?
(E)-1,3,3-triethoxyprop-1-ene has a molecular weight of 174.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3,3-triethoxyprop-1-ene is sourced from PubChem (CID 5369370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).