2,3,3-triethoxyoct-1-en-1-one

C14H26O4 — CID 175236883

IUPAC2,3,3-triethoxyoct-1-en-1-one
SMILESCCCCCC(OCC)(OCC)C(=C=O)OCC
InChIInChI=1S/C14H26O4/c1-5-9-10-11-14(17-7-3,18-8-4)13(12-15)16-6-2/h5-11H2,1-4H3
InChIKeyMTWOGIWAXNXHGA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.09
Rot. Bonds11

About 2,3,3-triethoxyoct-1-en-1-one

2,3,3-triethoxyoct-1-en-1-one (PubChem CID 175236883) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3,3-triethoxyoct-1-en-1-one.

Molecular Properties

Compound Name2,3,3-triethoxyoct-1-en-1-one
PubChem CID175236883
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2,3,3-triethoxyoct-1-en-1-one
SMILESCCCCCC(OCC)(OCC)C(=C=O)OCC
InChIInChI=1S/C14H26O4/c1-5-9-10-11-14(17-7-3,18-8-4)13(12-15)16-6-2/h5-11H2,1-4H3
InChIKeyMTWOGIWAXNXHGA-UHFFFAOYSA-N
XLogP3.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-triethoxyoct-1-en-1-one?
The IUPAC name of 2,3,3-triethoxyoct-1-en-1-one (CID 175236883) is 2,3,3-triethoxyoct-1-en-1-one.
What is the SMILES notation for 2,3,3-triethoxyoct-1-en-1-one?
The canonical SMILES for 2,3,3-triethoxyoct-1-en-1-one is CCCCCC(OCC)(OCC)C(=C=O)OCC.
What is the InChIKey of 2,3,3-triethoxyoct-1-en-1-one?
The InChIKey is MTWOGIWAXNXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-9-10-11-14(17-7-3,18-8-4)13(12-15)16-6-2/h5-11H2,1-4H3.
What are the key properties of 2,3,3-triethoxyoct-1-en-1-one?
2,3,3-triethoxyoct-1-en-1-one has a molecular weight of 258.36 g/mol, XLogP of 3.09, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-triethoxyoct-1-en-1-one is sourced from PubChem (CID 175236883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).