6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene

C8H9ClO2 — CID 101238620

IUPAC6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
SMILESClC1=CC=CCC12OCCO2
InChIInChI=1S/C8H9ClO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-3H,4-6H2
InChIKeyWINHWUYVNXZWRO-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.81
Rot. Bonds

About 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene

6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene (PubChem CID 101238620) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene.

Molecular Properties

Compound Name6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
PubChem CID101238620
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
SMILESClC1=CC=CCC12OCCO2
InChIInChI=1S/C8H9ClO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-3H,4-6H2
InChIKeyWINHWUYVNXZWRO-UHFFFAOYSA-N
XLogP1.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene with MolForge

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Related Compounds

(3aS,7aS)-4-chloro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 11106075
1,2-Epoxy-3-m-chlorophenoxy propane
CID 129777647
Lithium 2-(4-chlorobenzene-6-id-1-yl)-2-methyl-1,3-dioxolane
CID 135082478
4-(chloromethyl)-2-methyl-2-[(1E,3E)-penta-1,3-dienyl]-1,3-dioxolane
CID 15695813
4-Chloro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 14679835
(3aR,7aR)-4-chloro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 14679836
7a-(chloromethyl)-3aH-1,3-benzodioxole
CID 20137795
1-Chloro-6-propoxy-7-oxabicyclo[4.1.0]hepta-2,4-diene
CID 153707364
7a-chloro-3aH-1,3-benzodioxol-2-one
CID 177716237
(3aS,7aS)-4-chloro-3a,5,6,7,7a-pentadeuterio-2,2-dimethyl-1,3-benzodioxole
CID 10821555
1,4-Dioxaspiro[4.5]deca-6,8-diene
CID 53440555
8-Chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
CID 101238619

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
The IUPAC name of 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene (CID 101238620) is 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene.
What is the SMILES notation for 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
The canonical SMILES for 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene is ClC1=CC=CCC12OCCO2.
What is the InChIKey of 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
The InChIKey is WINHWUYVNXZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h1-3H,4-6H2.
What are the key properties of 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene has a molecular weight of 172.61 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene is sourced from PubChem (CID 101238620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).