1-ethenoxy-2-(ethenoxymethyl)heptane

C12H22O2 — CID 21184926

IUPAC1-ethenoxy-2-(ethenoxymethyl)heptane
SMILESC=COCC(CCCCC)COC=C
InChIInChI=1S/C12H22O2/c1-4-7-8-9-12(10-13-5-2)11-14-6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyLJHIRHBKENURER-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.50
Rot. Bonds10

About 1-ethenoxy-2-(ethenoxymethyl)heptane

1-ethenoxy-2-(ethenoxymethyl)heptane (PubChem CID 21184926) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-ethenoxy-2-(ethenoxymethyl)heptane.

Molecular Properties

Compound Name1-ethenoxy-2-(ethenoxymethyl)heptane
PubChem CID21184926
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-ethenoxy-2-(ethenoxymethyl)heptane
SMILESC=COCC(CCCCC)COC=C
InChIInChI=1S/C12H22O2/c1-4-7-8-9-12(10-13-5-2)11-14-6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyLJHIRHBKENURER-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.50
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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Related Compounds

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3-(4-ethenoxybutoxymethyl)heptane
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CID 173452630
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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-(ethenoxymethyl)heptane?
The IUPAC name of 1-ethenoxy-2-(ethenoxymethyl)heptane (CID 21184926) is 1-ethenoxy-2-(ethenoxymethyl)heptane.
What is the SMILES notation for 1-ethenoxy-2-(ethenoxymethyl)heptane?
The canonical SMILES for 1-ethenoxy-2-(ethenoxymethyl)heptane is C=COCC(CCCCC)COC=C.
What is the InChIKey of 1-ethenoxy-2-(ethenoxymethyl)heptane?
The InChIKey is LJHIRHBKENURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-8-9-12(10-13-5-2)11-14-6-3/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 1-ethenoxy-2-(ethenoxymethyl)heptane?
1-ethenoxy-2-(ethenoxymethyl)heptane has a molecular weight of 198.31 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-(ethenoxymethyl)heptane is sourced from PubChem (CID 21184926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).