5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C13H18O2S — CID 144723786

IUPAC5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCC/C=C\c1scc2c1OCCO2
InChIInChI=1S/C13H18O2S/c1-2-3-4-5-6-7-12-13-11(10-16-12)14-8-9-15-13/h6-7,10H,2-5,8-9H2,1H3/b7-6-
InChIKeyMSODBYZEBXJRGK-SREVYHEPSA-N
MW238.35 g/mol
LogP4.11
Rot. Bonds5

About 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 144723786) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID144723786
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCC/C=C\c1scc2c1OCCO2
InChIInChI=1S/C13H18O2S/c1-2-3-4-5-6-7-12-13-11(10-16-12)14-8-9-15-13/h6-7,10H,2-5,8-9H2,1H3/b7-6-
InChIKeyMSODBYZEBXJRGK-SREVYHEPSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 144723786) is 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCCCC/C=C\c1scc2c1OCCO2.
What is the InChIKey of 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is MSODBYZEBXJRGK-SREVYHEPSA-N. The full InChI is InChI=1S/C13H18O2S/c1-2-3-4-5-6-7-12-13-11(10-16-12)14-8-9-15-13/h6-7,10H,2-5,8-9H2,1H3/b7-6-.
What are the key properties of 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 238.35 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hept-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 144723786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).