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

C14H17ClO2 — CID 83922291

IUPAC6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
SMILESC/C=C\CC(C)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C14H17ClO2/c1-3-4-5-10(2)11-8-13-14(9-12(11)15)17-7-6-16-13/h3-4,8-10H,5-7H2,1-2H3/b4-3-
InChIKeyPCUANSWRMWXTHN-ARJAWSKDSA-N
MW252.74 g/mol
LogP4.18
Rot. Bonds3

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

6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 83922291) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
PubChem CID83922291
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
SMILESC/C=C\CC(C)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C14H17ClO2/c1-3-4-5-10(2)11-8-13-14(9-12(11)15)17-7-6-16-13/h3-4,8-10H,5-7H2,1-2H3/b4-3-
InChIKeyPCUANSWRMWXTHN-ARJAWSKDSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.18
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-chloro-7-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922297
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
7-(1-bromoethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 61096362
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
6-chloro-7-[(Z)-non-6-en-4-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922299
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
5-amino-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)heptan-4-ol
CID 83922311
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]-2H-triazole
CID 112717204
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanol
CID 61083339
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83922241
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethylbutan-1-ol
CID 61082388

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine (CID 83922291) is 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine is C/C=C\CC(C)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is PCUANSWRMWXTHN-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-3-4-5-10(2)11-8-13-14(9-12(11)15)17-7-6-16-13/h3-4,8-10H,5-7H2,1-2H3/b4-3-.
What are the key properties of 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine?
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 252.74 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 83922291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).