5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane

C14H26O2 — CID 161136086

IUPAC5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane
SMILESC=COCC(CC(C)(CC)OC=C)C(C)C
InChIInChI=1S/C14H26O2/c1-7-14(6,16-9-3)10-13(12(4)5)11-15-8-2/h8-9,12-13H,2-3,7,10-11H2,1,4-6H3
InChIKeyTUEVSZLOVGJVMW-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.14
Rot. Bonds9

About 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane

5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane (PubChem CID 161136086) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane.

Molecular Properties

Compound Name5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane
PubChem CID161136086
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane
SMILESC=COCC(CC(C)(CC)OC=C)C(C)C
InChIInChI=1S/C14H26O2/c1-7-14(6,16-9-3)10-13(12(4)5)11-15-8-2/h8-9,12-13H,2-3,7,10-11H2,1,4-6H3
InChIKeyTUEVSZLOVGJVMW-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.14
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 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane?
The IUPAC name of 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane (CID 161136086) is 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane.
What is the SMILES notation for 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane?
The canonical SMILES for 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane is C=COCC(CC(C)(CC)OC=C)C(C)C.
What is the InChIKey of 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane?
The InChIKey is TUEVSZLOVGJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-7-14(6,16-9-3)10-13(12(4)5)11-15-8-2/h8-9,12-13H,2-3,7,10-11H2,1,4-6H3.
What are the key properties of 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane?
5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane has a molecular weight of 226.36 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-3-(ethenoxymethyl)-2,5-dimethylheptane is sourced from PubChem (CID 161136086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).