1-prop-2-enoxypropane

C6H12O — CID 15119

IUPAC1-prop-2-enoxypropane
SMILESC=CCOCCC
InChIInChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
InChIKeyLWJHSQQHGRQCKO-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.60
Rot. Bonds4

About 1-prop-2-enoxypropane

1-prop-2-enoxypropane (PubChem CID 15119) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-prop-2-enoxypropane.

Molecular Properties

Compound Name1-prop-2-enoxypropane
PubChem CID15119
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name1-prop-2-enoxypropane
SMILESC=CCOCCC
InChIInChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
InChIKeyLWJHSQQHGRQCKO-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypropane?
The IUPAC name of 1-prop-2-enoxypropane (CID 15119) is 1-prop-2-enoxypropane.
What is the SMILES notation for 1-prop-2-enoxypropane?
The canonical SMILES for 1-prop-2-enoxypropane is C=CCOCCC.
What is the InChIKey of 1-prop-2-enoxypropane?
The InChIKey is LWJHSQQHGRQCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-prop-2-enoxypropane?
1-prop-2-enoxypropane has a molecular weight of 100.16 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypropane is sourced from PubChem (CID 15119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).