7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

C9H10O4 — CID 556647

IUPAC7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC2(C=CC1=O)OCCO2
InChIInChI=1S/C9H10O4/c1-11-8-6-9(3-2-7(8)10)12-4-5-13-9/h2-3,6H,4-5H2,1H3
InChIKeySZUVNRDRLZONOB-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.40
Rot. Bonds1

About 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one

7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 556647) has the molecular formula C9H10O4 and a molecular weight of 182.18 g/mol. Its IUPAC name is 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID556647
Molecular FormulaC9H10O4
Molecular Weight182.18 g/mol
Exact Mass182.06
IUPAC Name7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC2(C=CC1=O)OCCO2
InChIInChI=1S/C9H10O4/c1-11-8-6-9(3-2-7(8)10)12-4-5-13-9/h2-3,6H,4-5H2,1H3
InChIKeySZUVNRDRLZONOB-UHFFFAOYSA-N
XLogP0.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one (CID 556647) is 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is COC1=CC2(C=CC1=O)OCCO2.
What is the InChIKey of 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is SZUVNRDRLZONOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-11-8-6-9(3-2-7(8)10)12-4-5-13-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one?
7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 182.18 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 556647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).