6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine

C17H23ClO2 — CID 83922299

IUPAC6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
SMILESCC/C=C\CC(CCC)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C17H23ClO2/c1-3-5-6-8-13(7-4-2)14-11-16-17(12-15(14)18)20-10-9-19-16/h5-6,11-13H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyUYJKMKFQIMKYME-WAYWQWQTSA-N
MW294.82 g/mol
LogP5.35
Rot. Bonds6

About 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine

6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 83922299) has the molecular formula C17H23ClO2 and a molecular weight of 294.82 g/mol. Its IUPAC name is 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
PubChem CID83922299
Molecular FormulaC17H23ClO2
Molecular Weight294.82 g/mol
Exact Mass294.14
IUPAC Name6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
SMILESCC/C=C\CC(CCC)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C17H23ClO2/c1-3-5-6-8-13(7-4-2)14-11-16-17(12-15(14)18)20-10-9-19-16/h5-6,11-13H,3-4,7-10H2,1-2H3/b6-5-
InChIKeyUYJKMKFQIMKYME-WAYWQWQTSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.82
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922545
6-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297
7-chloro-8-(1-chloro-2-propylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 82990053
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922291
7-chloro-8-(1-chloro-2-methylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 63433122
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propylpentan-1-amine
CID 82985278
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethylbutan-1-amine
CID 43492692
7-(1-bromohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445012
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922168
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-ethyl-2-methylpentan-1-amine
CID 43492696
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43497508

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine (CID 83922299) is 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine is CC/C=C\CC(CCC)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is UYJKMKFQIMKYME-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H23ClO2/c1-3-5-6-8-13(7-4-2)14-11-16-17(12-15(14)18)20-10-9-19-16/h5-6,11-13H,3-4,7-10H2,1-2H3/b6-5-.
What are the key properties of 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine?
6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 294.82 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 83922299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).