5,7,7-triethoxyhept-3-ene

C13H26O3 — CID 53438979

IUPAC5,7,7-triethoxyhept-3-ene
SMILESCCC=CC(CC(OCC)OCC)OCC
InChIInChI=1S/C13H26O3/c1-5-9-10-12(14-6-2)11-13(15-7-3)16-8-4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyYMPURWKRLGBYLD-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds10

About 5,7,7-triethoxyhept-3-ene

5,7,7-triethoxyhept-3-ene (PubChem CID 53438979) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5,7,7-triethoxyhept-3-ene.

Molecular Properties

Compound Name5,7,7-triethoxyhept-3-ene
PubChem CID53438979
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name5,7,7-triethoxyhept-3-ene
SMILESCCC=CC(CC(OCC)OCC)OCC
InChIInChI=1S/C13H26O3/c1-5-9-10-12(14-6-2)11-13(15-7-3)16-8-4/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyYMPURWKRLGBYLD-UHFFFAOYSA-N
XLogP3.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7,7-triethoxyhept-3-ene?
The IUPAC name of 5,7,7-triethoxyhept-3-ene (CID 53438979) is 5,7,7-triethoxyhept-3-ene.
What is the SMILES notation for 5,7,7-triethoxyhept-3-ene?
The canonical SMILES for 5,7,7-triethoxyhept-3-ene is CCC=CC(CC(OCC)OCC)OCC.
What is the InChIKey of 5,7,7-triethoxyhept-3-ene?
The InChIKey is YMPURWKRLGBYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-5-9-10-12(14-6-2)11-13(15-7-3)16-8-4/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 5,7,7-triethoxyhept-3-ene?
5,7,7-triethoxyhept-3-ene has a molecular weight of 230.35 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-triethoxyhept-3-ene is sourced from PubChem (CID 53438979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).