2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

C11H10O3 — CID 10821498

IUPAC2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
SMILESC=CC1COc2cc(C=O)ccc2O1
InChIInChI=1S/C11H10O3/c1-2-9-7-13-11-5-8(6-12)3-4-10(11)14-9/h2-6,9H,1,7H2
InChIKeyCYYIOVBZVRQOOI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.82
Rot. Bonds2

About 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde

2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (PubChem CID 10821498) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde.

Molecular Properties

Compound Name2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
PubChem CID10821498
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
SMILESC=CC1COc2cc(C=O)ccc2O1
InChIInChI=1S/C11H10O3/c1-2-9-7-13-11-5-8(6-12)3-4-10(11)14-9/h2-6,9H,1,7H2
InChIKeyCYYIOVBZVRQOOI-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 10845348
3-fluoro-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 57432269
3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
CID 2776388
3-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 84691748
2-(bromomethyl)-1,3-benzodioxole-5-carbaldehyde
CID 87358758
2,17-dioxa-5,8,11,14-tetrathiabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde
CID 10883987
2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carbaldehyde
CID 118131778
3-phenyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
CID 86151541
cyclohexanamine;2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 23291702
6-bromo-2,3-dihydro-1,4-benzodioxine-3-carbaldehyde
CID 117046659
2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazine-6-carbaldehyde
CID 82025247
chloromethane;2-[4-[(4-chlorophenyl)methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde
CID 162365533

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The IUPAC name of 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde (CID 10821498) is 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde.
What is the SMILES notation for 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The canonical SMILES for 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is C=CC1COc2cc(C=O)ccc2O1.
What is the InChIKey of 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
The InChIKey is CYYIOVBZVRQOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-2-9-7-13-11-5-8(6-12)3-4-10(11)14-9/h2-6,9H,1,7H2.
What are the key properties of 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde?
2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde has a molecular weight of 190.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,3-dihydro-1,4-benzodioxine-6-carbaldehyde is sourced from PubChem (CID 10821498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).