(E)-1-prop-2-enoxybut-2-ene

C7H12O — CID 11815317

IUPAC(E)-1-prop-2-enoxybut-2-ene
SMILESC=CCOC/C=C/C
InChIInChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-5H,2,6-7H2,1H3/b5-3+
InChIKeyATVLDLYAISLOEO-HWKANZROSA-N
MW112.17 g/mol
LogP1.77
Rot. Bonds4

About (E)-1-prop-2-enoxybut-2-ene

(E)-1-prop-2-enoxybut-2-ene (PubChem CID 11815317) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (E)-1-prop-2-enoxybut-2-ene.

Molecular Properties

Compound Name(E)-1-prop-2-enoxybut-2-ene
PubChem CID11815317
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(E)-1-prop-2-enoxybut-2-ene
SMILESC=CCOC/C=C/C
InChIInChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-5H,2,6-7H2,1H3/b5-3+
InChIKeyATVLDLYAISLOEO-HWKANZROSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.77
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 (E)-1-prop-2-enoxybut-2-ene?
The IUPAC name of (E)-1-prop-2-enoxybut-2-ene (CID 11815317) is (E)-1-prop-2-enoxybut-2-ene.
What is the SMILES notation for (E)-1-prop-2-enoxybut-2-ene?
The canonical SMILES for (E)-1-prop-2-enoxybut-2-ene is C=CCOC/C=C/C.
What is the InChIKey of (E)-1-prop-2-enoxybut-2-ene?
The InChIKey is ATVLDLYAISLOEO-HWKANZROSA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-5H,2,6-7H2,1H3/b5-3+.
What are the key properties of (E)-1-prop-2-enoxybut-2-ene?
(E)-1-prop-2-enoxybut-2-ene has a molecular weight of 112.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-prop-2-enoxybut-2-ene is sourced from PubChem (CID 11815317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).