4-ethenoxy-3-(ethenoxymethyl)heptane

C12H22O2 — CID 118205814

IUPAC4-ethenoxy-3-(ethenoxymethyl)heptane
SMILESC=COCC(CC)C(CCC)OC=C
InChIInChI=1S/C12H22O2/c1-5-9-12(14-8-4)11(6-2)10-13-7-3/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeySKIZNHRXFXENSO-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.50
Rot. Bonds9

About 4-ethenoxy-3-(ethenoxymethyl)heptane

4-ethenoxy-3-(ethenoxymethyl)heptane (PubChem CID 118205814) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-ethenoxy-3-(ethenoxymethyl)heptane.

Molecular Properties

Compound Name4-ethenoxy-3-(ethenoxymethyl)heptane
PubChem CID118205814
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4-ethenoxy-3-(ethenoxymethyl)heptane
SMILESC=COCC(CC)C(CCC)OC=C
InChIInChI=1S/C12H22O2/c1-5-9-12(14-8-4)11(6-2)10-13-7-3/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeySKIZNHRXFXENSO-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-3-(ethenoxymethyl)heptane?
The IUPAC name of 4-ethenoxy-3-(ethenoxymethyl)heptane (CID 118205814) is 4-ethenoxy-3-(ethenoxymethyl)heptane.
What is the SMILES notation for 4-ethenoxy-3-(ethenoxymethyl)heptane?
The canonical SMILES for 4-ethenoxy-3-(ethenoxymethyl)heptane is C=COCC(CC)C(CCC)OC=C.
What is the InChIKey of 4-ethenoxy-3-(ethenoxymethyl)heptane?
The InChIKey is SKIZNHRXFXENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-9-12(14-8-4)11(6-2)10-13-7-3/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 4-ethenoxy-3-(ethenoxymethyl)heptane?
4-ethenoxy-3-(ethenoxymethyl)heptane has a molecular weight of 198.31 g/mol, XLogP of 3.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-3-(ethenoxymethyl)heptane is sourced from PubChem (CID 118205814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).