1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane

C12H22O3 — CID 87865650

IUPAC1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
SMILESCC=COCC(C)OCC(C)OC=CC
InChIInChI=1S/C12H22O3/c1-5-7-13-9-11(3)15-10-12(4)14-8-6-2/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRQEGOCDGUXHCJS-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.88
Rot. Bonds8

About 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane

1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane (PubChem CID 87865650) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane.

Molecular Properties

Compound Name1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
PubChem CID87865650
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane
SMILESCC=COCC(C)OCC(C)OC=CC
InChIInChI=1S/C12H22O3/c1-5-7-13-9-11(3)15-10-12(4)14-8-6-2/h5-8,11-12H,9-10H2,1-4H3
InChIKeyRQEGOCDGUXHCJS-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.88
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-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane?
The IUPAC name of 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane (CID 87865650) is 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane.
What is the SMILES notation for 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane?
The canonical SMILES for 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane is CC=COCC(C)OCC(C)OC=CC.
What is the InChIKey of 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane?
The InChIKey is RQEGOCDGUXHCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-5-7-13-9-11(3)15-10-12(4)14-8-6-2/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane?
1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane has a molecular weight of 214.31 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxy-2-(2-prop-1-enoxypropoxy)propane is sourced from PubChem (CID 87865650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).