2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine

C8H12O2 — CID 5354360

IUPAC2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine
SMILESC/C=C\C1OCC=CCO1
InChIInChI=1S/C8H12O2/c1-2-5-8-9-6-3-4-7-10-8/h2-5,8H,6-7H2,1H3/b5-2-
InChIKeyZEAXFQUUBQPSOZ-DJWKRKHSSA-N
MW140.18 g/mol
LogP1.49
Rot. Bonds1

About 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine

2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine (PubChem CID 5354360) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine.

Molecular Properties

Compound Name2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine
PubChem CID5354360
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine
SMILESC/C=C\C1OCC=CCO1
InChIInChI=1S/C8H12O2/c1-2-5-8-9-6-3-4-7-10-8/h2-5,8H,6-7H2,1H3/b5-2-
InChIKeyZEAXFQUUBQPSOZ-DJWKRKHSSA-N
XLogP1.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine?
The IUPAC name of 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine (CID 5354360) is 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine.
What is the SMILES notation for 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine?
The canonical SMILES for 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine is C/C=C\C1OCC=CCO1.
What is the InChIKey of 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine?
The InChIKey is ZEAXFQUUBQPSOZ-DJWKRKHSSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-5-8-9-6-3-4-7-10-8/h2-5,8H,6-7H2,1H3/b5-2-.
What are the key properties of 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine?
2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine has a molecular weight of 140.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enyl]-4,7-dihydro-1,3-dioxepine is sourced from PubChem (CID 5354360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).