6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine

C16H22O2 — CID 83922168

IUPAC6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
SMILESCC/C=C\CC(CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22O2/c1-3-5-6-7-13(4-2)14-8-9-15-16(12-14)18-11-10-17-15/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3/b6-5-
InChIKeyUASHYOXDQIGXMS-WAYWQWQTSA-N
MW246.35 g/mol
LogP4.31
Rot. Bonds5

About 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine

6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 83922168) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
PubChem CID83922168
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
SMILESCC/C=C\CC(CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H22O2/c1-3-5-6-7-13(4-2)14-8-9-15-16(12-14)18-11-10-17-15/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3/b6-5-
InChIKeyUASHYOXDQIGXMS-WAYWQWQTSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 82081024
4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
CID 83922100
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(1-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 61098299
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
CID 61083741
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pentan-1-amine
CID 70125618
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922299
1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83928771
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine (CID 83922168) is 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine is CC/C=C\CC(CC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is UASHYOXDQIGXMS-WAYWQWQTSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-5-6-7-13(4-2)14-8-9-15-16(12-14)18-11-10-17-15/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3/b6-5-.
What are the key properties of 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine?
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 246.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 83922168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).