1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane

C13H24O2 — CID 89245839

IUPAC1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane
SMILESC=COCC(C)CCC(CC)COC=C
InChIInChI=1S/C13H24O2/c1-5-13(11-15-7-3)9-8-12(4)10-14-6-2/h6-7,12-13H,2-3,5,8-11H2,1,4H3
InChIKeyKOGAINYFSCHYFA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.75
Rot. Bonds10

About 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane

1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane (PubChem CID 89245839) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane.

Molecular Properties

Compound Name1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane
PubChem CID89245839
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane
SMILESC=COCC(C)CCC(CC)COC=C
InChIInChI=1S/C13H24O2/c1-5-13(11-15-7-3)9-8-12(4)10-14-6-2/h6-7,12-13H,2-3,5,8-11H2,1,4H3
InChIKeyKOGAINYFSCHYFA-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane?
The IUPAC name of 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane (CID 89245839) is 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane.
What is the SMILES notation for 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane?
The canonical SMILES for 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane is C=COCC(C)CCC(CC)COC=C.
What is the InChIKey of 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane?
The InChIKey is KOGAINYFSCHYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-13(11-15-7-3)9-8-12(4)10-14-6-2/h6-7,12-13H,2-3,5,8-11H2,1,4H3.
What are the key properties of 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane?
1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane has a molecular weight of 212.33 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-5-(ethenoxymethyl)-2-methylheptane is sourced from PubChem (CID 89245839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).