2,3-bis(ethenoxy)-3-ethylheptane

C13H24O2 — CID 174966964

IUPAC2,3-bis(ethenoxy)-3-ethylheptane
SMILESC=COC(C)C(CC)(CCCC)OC=C
InChIInChI=1S/C13H24O2/c1-6-10-11-13(7-2,15-9-4)12(5)14-8-3/h8-9,12H,3-4,6-7,10-11H2,1-2,5H3
InChIKeyIDQYDQKGCJRDMD-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.03
Rot. Bonds9

About 2,3-bis(ethenoxy)-3-ethylheptane

2,3-bis(ethenoxy)-3-ethylheptane (PubChem CID 174966964) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,3-bis(ethenoxy)-3-ethylheptane.

Molecular Properties

Compound Name2,3-bis(ethenoxy)-3-ethylheptane
PubChem CID174966964
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,3-bis(ethenoxy)-3-ethylheptane
SMILESC=COC(C)C(CC)(CCCC)OC=C
InChIInChI=1S/C13H24O2/c1-6-10-11-13(7-2,15-9-4)12(5)14-8-3/h8-9,12H,3-4,6-7,10-11H2,1-2,5H3
InChIKeyIDQYDQKGCJRDMD-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.03
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 2,3-bis(ethenoxy)-3-ethylheptane?
The IUPAC name of 2,3-bis(ethenoxy)-3-ethylheptane (CID 174966964) is 2,3-bis(ethenoxy)-3-ethylheptane.
What is the SMILES notation for 2,3-bis(ethenoxy)-3-ethylheptane?
The canonical SMILES for 2,3-bis(ethenoxy)-3-ethylheptane is C=COC(C)C(CC)(CCCC)OC=C.
What is the InChIKey of 2,3-bis(ethenoxy)-3-ethylheptane?
The InChIKey is IDQYDQKGCJRDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-10-11-13(7-2,15-9-4)12(5)14-8-3/h8-9,12H,3-4,6-7,10-11H2,1-2,5H3.
What are the key properties of 2,3-bis(ethenoxy)-3-ethylheptane?
2,3-bis(ethenoxy)-3-ethylheptane has a molecular weight of 212.33 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenoxy)-3-ethylheptane is sourced from PubChem (CID 174966964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).