(E,3R)-1,1,3-triethoxynon-4-ene

C15H30O3 — CID 6450414

IUPAC(E,3R)-1,1,3-triethoxynon-4-ene
SMILESCCCC/C=C/[C@@H](CC(OCC)OCC)OCC
InChIInChI=1S/C15H30O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+/t14-/m0/s1
InChIKeyGMJRSWGCHBIIBV-GETOMWPZSA-N
MW258.40 g/mol
LogP3.93
Rot. Bonds12

About (E,3R)-1,1,3-triethoxynon-4-ene

(E,3R)-1,1,3-triethoxynon-4-ene (PubChem CID 6450414) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (E,3R)-1,1,3-triethoxynon-4-ene.

Molecular Properties

Compound Name(E,3R)-1,1,3-triethoxynon-4-ene
PubChem CID6450414
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(E,3R)-1,1,3-triethoxynon-4-ene
SMILESCCCC/C=C/[C@@H](CC(OCC)OCC)OCC
InChIInChI=1S/C15H30O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+/t14-/m0/s1
InChIKeyGMJRSWGCHBIIBV-GETOMWPZSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (E,3R)-1,1,3-triethoxynon-4-ene?
The IUPAC name of (E,3R)-1,1,3-triethoxynon-4-ene (CID 6450414) is (E,3R)-1,1,3-triethoxynon-4-ene.
What is the SMILES notation for (E,3R)-1,1,3-triethoxynon-4-ene?
The canonical SMILES for (E,3R)-1,1,3-triethoxynon-4-ene is CCCC/C=C/[C@@H](CC(OCC)OCC)OCC.
What is the InChIKey of (E,3R)-1,1,3-triethoxynon-4-ene?
The InChIKey is GMJRSWGCHBIIBV-GETOMWPZSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+/t14-/m0/s1.
What are the key properties of (E,3R)-1,1,3-triethoxynon-4-ene?
(E,3R)-1,1,3-triethoxynon-4-ene has a molecular weight of 258.40 g/mol, XLogP of 3.93, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1,1,3-triethoxynon-4-ene is sourced from PubChem (CID 6450414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).