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

C16H32O3 — CID 6450413

IUPAC(E,3R)-1,1,3-triethoxydec-4-ene
SMILESCCCCC/C=C/[C@@H](CC(OCC)OCC)OCC
InChIInChI=1S/C16H32O3/c1-5-9-10-11-12-13-15(17-6-2)14-16(18-7-3)19-8-4/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+/t15-/m0/s1
InChIKeyRCATYCKUCAVYNI-LHNRBYRGSA-N
MW272.43 g/mol
LogP4.32
Rot. Bonds13

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

(E,3R)-1,1,3-triethoxydec-4-ene (PubChem CID 6450413) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (E,3R)-1,1,3-triethoxydec-4-ene.

Molecular Properties

Compound Name(E,3R)-1,1,3-triethoxydec-4-ene
PubChem CID6450413
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(E,3R)-1,1,3-triethoxydec-4-ene
SMILESCCCCC/C=C/[C@@H](CC(OCC)OCC)OCC
InChIInChI=1S/C16H32O3/c1-5-9-10-11-12-13-15(17-6-2)14-16(18-7-3)19-8-4/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+/t15-/m0/s1
InChIKeyRCATYCKUCAVYNI-LHNRBYRGSA-N
XLogP4.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.32
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-triethoxydec-4-ene?
The IUPAC name of (E,3R)-1,1,3-triethoxydec-4-ene (CID 6450413) is (E,3R)-1,1,3-triethoxydec-4-ene.
What is the SMILES notation for (E,3R)-1,1,3-triethoxydec-4-ene?
The canonical SMILES for (E,3R)-1,1,3-triethoxydec-4-ene is CCCCC/C=C/[C@@H](CC(OCC)OCC)OCC.
What is the InChIKey of (E,3R)-1,1,3-triethoxydec-4-ene?
The InChIKey is RCATYCKUCAVYNI-LHNRBYRGSA-N. The full InChI is InChI=1S/C16H32O3/c1-5-9-10-11-12-13-15(17-6-2)14-16(18-7-3)19-8-4/h12-13,15-16H,5-11,14H2,1-4H3/b13-12+/t15-/m0/s1.
What are the key properties of (E,3R)-1,1,3-triethoxydec-4-ene?
(E,3R)-1,1,3-triethoxydec-4-ene has a molecular weight of 272.43 g/mol, XLogP of 4.32, 13 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-triethoxydec-4-ene is sourced from PubChem (CID 6450413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).