(E)-1-[(E)-prop-1-enoxy]but-2-ene

C7H12O — CID 6433446

IUPAC(E)-1-[(E)-prop-1-enoxy]but-2-ene
SMILESC/C=C/CO/C=C/C
InChIInChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKeyQOCZFYYPDLVJLP-GGWOSOGESA-N
MW112.17 g/mol
LogP2.11
Rot. Bonds3

About (E)-1-[(E)-prop-1-enoxy]but-2-ene

(E)-1-[(E)-prop-1-enoxy]but-2-ene (PubChem CID 6433446) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (E)-1-[(E)-prop-1-enoxy]but-2-ene.

Molecular Properties

Compound Name(E)-1-[(E)-prop-1-enoxy]but-2-ene
PubChem CID6433446
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(E)-1-[(E)-prop-1-enoxy]but-2-ene
SMILESC/C=C/CO/C=C/C
InChIInChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+
InChIKeyQOCZFYYPDLVJLP-GGWOSOGESA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(E)-prop-1-enoxy]but-2-ene?
The IUPAC name of (E)-1-[(E)-prop-1-enoxy]but-2-ene (CID 6433446) is (E)-1-[(E)-prop-1-enoxy]but-2-ene.
What is the SMILES notation for (E)-1-[(E)-prop-1-enoxy]but-2-ene?
The canonical SMILES for (E)-1-[(E)-prop-1-enoxy]but-2-ene is C/C=C/CO/C=C/C.
What is the InChIKey of (E)-1-[(E)-prop-1-enoxy]but-2-ene?
The InChIKey is QOCZFYYPDLVJLP-GGWOSOGESA-N. The full InChI is InChI=1S/C7H12O/c1-3-5-7-8-6-4-2/h3-6H,7H2,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-1-[(E)-prop-1-enoxy]but-2-ene?
(E)-1-[(E)-prop-1-enoxy]but-2-ene has a molecular weight of 112.17 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-prop-1-enoxy]but-2-ene is sourced from PubChem (CID 6433446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).