(E,5R)-5,7,7-triethoxyhept-3-ene

C13H26O3 — CID 6450417

IUPAC(E,5R)-5,7,7-triethoxyhept-3-ene
SMILESCC/C=C/[C@@H](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/b10-9+/t12-/m0/s1
InChIKeyYMPURWKRLGBYLD-VMPCVLLUSA-N
MW230.35 g/mol
LogP3.15
Rot. Bonds10

About (E,5R)-5,7,7-triethoxyhept-3-ene

(E,5R)-5,7,7-triethoxyhept-3-ene (PubChem CID 6450417) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (E,5R)-5,7,7-triethoxyhept-3-ene.

Molecular Properties

Compound Name(E,5R)-5,7,7-triethoxyhept-3-ene
PubChem CID6450417
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(E,5R)-5,7,7-triethoxyhept-3-ene
SMILESCC/C=C/[C@@H](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/b10-9+/t12-/m0/s1
InChIKeyYMPURWKRLGBYLD-VMPCVLLUSA-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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Related Compounds

5-hept-4-en-3-yloxyhept-3-ene
CID 173176301
16,16-diethoxyhexadec-3-ene
CID 91492223
(3Z,6Z,9Z)-1,1-diethoxydodeca-3,6,9-triene
CID 10879603
(3E,5E)-18,18-diethoxyoctadeca-3,5-diene
CID 175053580
3-bromo-1,1-diethoxybutane
CID 12682404
1-(1,3,3-triethoxypropoxy)butane
CID 139631124
(3S)-1,1,3-triethoxynonane
CID 3084722
1,8,8-triethoxy-1-(1,8,8-triethoxyoct-2-enoxy)oct-2-ene
CID 162350652
(E)-5,5-diethoxypent-2-en-1-ol
CID 12533995
(2E,4Z,7Z)-1,1-diethoxydeca-2,4,7-triene
CID 87787384
1,6,6-triethoxy-1-(1,6,6-triethoxyhex-2-enoxy)hex-2-ene
CID 162350431
3-methylhept-4-en-2-ol
CID 90779417

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5,7,7-triethoxyhept-3-ene?
The IUPAC name of (E,5R)-5,7,7-triethoxyhept-3-ene (CID 6450417) is (E,5R)-5,7,7-triethoxyhept-3-ene.
What is the SMILES notation for (E,5R)-5,7,7-triethoxyhept-3-ene?
The canonical SMILES for (E,5R)-5,7,7-triethoxyhept-3-ene is CC/C=C/[C@@H](CC(OCC)OCC)OCC.
What is the InChIKey of (E,5R)-5,7,7-triethoxyhept-3-ene?
The InChIKey is YMPURWKRLGBYLD-VMPCVLLUSA-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/b10-9+/t12-/m0/s1.
What are the key properties of (E,5R)-5,7,7-triethoxyhept-3-ene?
(E,5R)-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 (E,5R)-5,7,7-triethoxyhept-3-ene is sourced from PubChem (CID 6450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).