1,2-bis(ethenoxy)propane

C7H12O2 — CID 15570361

IUPAC1,2-bis(ethenoxy)propane
SMILESC=COCC(C)OC=C
InChIInChI=1S/C7H12O2/c1-4-8-6-7(3)9-5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyLXSVCBDMOGLGFA-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.70
Rot. Bonds5

About 1,2-bis(ethenoxy)propane

1,2-bis(ethenoxy)propane (PubChem CID 15570361) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,2-bis(ethenoxy)propane.

Molecular Properties

Compound Name1,2-bis(ethenoxy)propane
PubChem CID15570361
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1,2-bis(ethenoxy)propane
SMILESC=COCC(C)OC=C
InChIInChI=1S/C7H12O2/c1-4-8-6-7(3)9-5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyLXSVCBDMOGLGFA-UHFFFAOYSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.70
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 1,2-bis(ethenoxy)propane?
The IUPAC name of 1,2-bis(ethenoxy)propane (CID 15570361) is 1,2-bis(ethenoxy)propane.
What is the SMILES notation for 1,2-bis(ethenoxy)propane?
The canonical SMILES for 1,2-bis(ethenoxy)propane is C=COCC(C)OC=C.
What is the InChIKey of 1,2-bis(ethenoxy)propane?
The InChIKey is LXSVCBDMOGLGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-8-6-7(3)9-5-2/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 1,2-bis(ethenoxy)propane?
1,2-bis(ethenoxy)propane has a molecular weight of 128.17 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenoxy)propane is sourced from PubChem (CID 15570361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).