6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine

C18H26O2 — CID 18786561

IUPAC6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine
SMILESC=CCCCCCCCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(15-16)20-14-13-19-17/h2,11-12,15H,1,3-10,13-14H2
InChIKeyARQRDCLVGLZIDF-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.92
Rot. Bonds9

About 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine

6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 18786561) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine
PubChem CID18786561
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine
SMILESC=CCCCCCCCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(15-16)20-14-13-19-17/h2,11-12,15H,1,3-10,13-14H2
InChIKeyARQRDCLVGLZIDF-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)pentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine (CID 18786561) is 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine is C=CCCCCCCCCc1ccc2c(c1)OCCO2.
What is the InChIKey of 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ARQRDCLVGLZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17-18(15-16)20-14-13-19-17/h2,11-12,15H,1,3-10,13-14H2.
What are the key properties of 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine?
6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 274.40 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dec-9-enyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 18786561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).