(5S)-1-ethenoxy-5-(ethenoxymethyl)octane

C13H24O2 — CID 89336178

IUPAC(5S)-1-ethenoxy-5-(ethenoxymethyl)octane
SMILESC=COCCCC[C@H](CCC)COC=C
InChIInChI=1S/C13H24O2/c1-4-9-13(12-15-6-3)10-7-8-11-14-5-2/h5-6,13H,2-4,7-12H2,1H3/t13-/m0/s1
InChIKeyRIVMKGKYSVLGLD-ZDUSSCGKSA-N
MW212.33 g/mol
LogP3.89
Rot. Bonds11

About (5S)-1-ethenoxy-5-(ethenoxymethyl)octane

(5S)-1-ethenoxy-5-(ethenoxymethyl)octane (PubChem CID 89336178) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (5S)-1-ethenoxy-5-(ethenoxymethyl)octane.

Molecular Properties

Compound Name(5S)-1-ethenoxy-5-(ethenoxymethyl)octane
PubChem CID89336178
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(5S)-1-ethenoxy-5-(ethenoxymethyl)octane
SMILESC=COCCCC[C@H](CCC)COC=C
InChIInChI=1S/C13H24O2/c1-4-9-13(12-15-6-3)10-7-8-11-14-5-2/h5-6,13H,2-4,7-12H2,1H3/t13-/m0/s1
InChIKeyRIVMKGKYSVLGLD-ZDUSSCGKSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-ethenoxy-5-(ethenoxymethyl)octane?
The IUPAC name of (5S)-1-ethenoxy-5-(ethenoxymethyl)octane (CID 89336178) is (5S)-1-ethenoxy-5-(ethenoxymethyl)octane.
What is the SMILES notation for (5S)-1-ethenoxy-5-(ethenoxymethyl)octane?
The canonical SMILES for (5S)-1-ethenoxy-5-(ethenoxymethyl)octane is C=COCCCC[C@H](CCC)COC=C.
What is the InChIKey of (5S)-1-ethenoxy-5-(ethenoxymethyl)octane?
The InChIKey is RIVMKGKYSVLGLD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-9-13(12-15-6-3)10-7-8-11-14-5-2/h5-6,13H,2-4,7-12H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-1-ethenoxy-5-(ethenoxymethyl)octane?
(5S)-1-ethenoxy-5-(ethenoxymethyl)octane has a molecular weight of 212.33 g/mol, XLogP of 3.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-ethenoxy-5-(ethenoxymethyl)octane is sourced from PubChem (CID 89336178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).