1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane

C14H26O3 — CID 87287194

IUPAC1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane
SMILESC=COCC(C)C(COC=C)CC(C)(C)OC
InChIInChI=1S/C14H26O3/c1-7-16-10-12(3)13(11-17-8-2)9-14(4,5)15-6/h7-8,12-13H,1-2,9-11H2,3-6H3
InChIKeyNVESKNUWOKQFHY-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.37
Rot. Bonds10

About 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane

1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane (PubChem CID 87287194) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane.

Molecular Properties

Compound Name1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane
PubChem CID87287194
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane
SMILESC=COCC(C)C(COC=C)CC(C)(C)OC
InChIInChI=1S/C14H26O3/c1-7-16-10-12(3)13(11-17-8-2)9-14(4,5)15-6/h7-8,12-13H,1-2,9-11H2,3-6H3
InChIKeyNVESKNUWOKQFHY-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane?
The IUPAC name of 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane (CID 87287194) is 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane.
What is the SMILES notation for 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane?
The canonical SMILES for 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane is C=COCC(C)C(COC=C)CC(C)(C)OC.
What is the InChIKey of 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane?
The InChIKey is NVESKNUWOKQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-7-16-10-12(3)13(11-17-8-2)9-14(4,5)15-6/h7-8,12-13H,1-2,9-11H2,3-6H3.
What are the key properties of 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane?
1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane has a molecular weight of 242.36 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-(ethenoxymethyl)-5-methoxy-2,5-dimethylhexane is sourced from PubChem (CID 87287194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).