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

C10H12O3 — CID 102571161

IUPAC7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC2(C=CC1=O)CCCO2
InChIInChI=1S/C10H12O3/c1-12-9-7-10(4-2-6-13-10)5-3-8(9)11/h3,5,7H,2,4,6H2,1H3
InChIKeyAJMYHEKUGJYTQW-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.20
Rot. Bonds1

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

7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 102571161) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID102571161
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESCOC1=CC2(C=CC1=O)CCCO2
InChIInChI=1S/C10H12O3/c1-12-9-7-10(4-2-6-13-10)5-3-8(9)11/h3,5,7H,2,4,6H2,1H3
InChIKeyAJMYHEKUGJYTQW-UHFFFAOYSA-N
XLogP1.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methoxy-4-oxaspiro[4.5]deca-6,9-diene-3,8-dione
CID 331550
1-Oxaspiro(4.5)deca-6,9-dien-8-one
CID 12412273
7,9-Dimethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 102074346
1-Oxaspiro[4.5]deca-6,9-diene-3,8-dione
CID 101146423
(5R)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101175872
(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101175873
(5R)-7-methoxy-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101175874
(5S)-7-methoxy-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101175875
6-Methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 69071837
4-Methoxy-1,3,5-trimethyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one
CID 143156563
7-Methoxy-2-propan-2-yl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 11379056
7-Methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 15526739

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 102571161) is 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one is COC1=CC2(C=CC1=O)CCCO2.
What is the InChIKey of 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is AJMYHEKUGJYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-9-7-10(4-2-6-13-10)5-3-8(9)11/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one?
7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 180.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 102571161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).