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

C8H9ClO2 — CID 101238619

IUPAC8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
SMILESClC1=CCC2(C=C1)OCCO2
InChIInChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-3H,4-6H2
InChIKeyAOUPDMVAVLWWSP-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.81
Rot. Bonds

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

8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene (PubChem CID 101238619) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene.

Molecular Properties

Compound Name8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
PubChem CID101238619
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene
SMILESClC1=CCC2(C=C1)OCCO2
InChIInChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-3H,4-6H2
InChIKeyAOUPDMVAVLWWSP-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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
The IUPAC name of 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene (CID 101238619) is 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene.
What is the SMILES notation for 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
The canonical SMILES for 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene is ClC1=CCC2(C=C1)OCCO2.
What is the InChIKey of 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
The InChIKey is AOUPDMVAVLWWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-3H,4-6H2.
What are the key properties of 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene?
8-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 8-chloro-1,4-dioxaspiro[4.5]deca-6,8-diene is sourced from PubChem (CID 101238619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).