1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

C8H10O3 — CID 45083077

IUPAC1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=C(C)C2(OCCO2)C1=O
InChIInChI=1S/C8H10O3/c1-5-6(2)8(7(5)9)10-3-4-11-8/h3-4H2,1-2H3
InChIKeyGAQJUYIINFQASB-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one

1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 45083077) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID45083077
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=C(C)C2(OCCO2)C1=O
InChIInChI=1S/C8H10O3/c1-5-6(2)8(7(5)9)10-3-4-11-8/h3-4H2,1-2H3
InChIKeyGAQJUYIINFQASB-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one with MolForge

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Related Compounds

2-Methyl-3-[(propan-2-yl)oxy]-5,8-dioxaspiro[3.4]oct-2-en-1-one
CID 14715018
2-Methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715040
2,2-Ethylenedioxy-4-methyl-3-(tri-n-butylstannyl)cyclobut-3-ene-1-one
CID 14952258
(1S,5R)-2,3-dimethyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
CID 139662915
4,4-Diethoxy-2,3-dimethylcyclobut-2-en-1-one
CID 10607539
1-Butyl-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 11138034
1-Methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715039
1-Tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715041
2-Tert-butyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715042
2-Butyl-1-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715043
1-[(E)-hex-1-enyl]-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14737856
1-Acetyl-2-methyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14952261

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 45083077) is 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is CC1=C(C)C2(OCCO2)C1=O.
What is the InChIKey of 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is GAQJUYIINFQASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-6(2)8(7(5)9)10-3-4-11-8/h3-4H2,1-2H3.
What are the key properties of 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one?
1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 45083077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).