(3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde

C10H10O4 — CID 131169372

IUPAC(3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde
SMILESCOC1=CC(=O)[C@@]2(OC2C)C(C=O)=C1
InChIInChI=1S/C10H10O4/c1-6-10(14-6)7(5-11)3-8(13-2)4-9(10)12/h3-6H,1-2H3/t6?,10-/m0/s1
InChIKeyORWGIHAKBYDYCC-TYICEKJOSA-N
MW194.19 g/mol
LogP0.38
Rot. Bonds2

About (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde

(3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde (PubChem CID 131169372) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde.

Molecular Properties

Compound Name(3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde
PubChem CID131169372
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde
SMILESCOC1=CC(=O)[C@@]2(OC2C)C(C=O)=C1
InChIInChI=1S/C10H10O4/c1-6-10(14-6)7(5-11)3-8(13-2)4-9(10)12/h3-6H,1-2H3/t6?,10-/m0/s1
InChIKeyORWGIHAKBYDYCC-TYICEKJOSA-N
XLogP0.38
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-Oxabicyclo[4.1.0]hepta-2,4-diene-1,2-dicarbaldehyde
CID 89416627
4,6-Dimethoxy-5-oxocyclohexa-1,3-diene-1-carbaldehyde
CID 175159439
2-Acetyl-7-methoxy-2-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 11769695
6-Methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde
CID 15173296
(3R)-6-methoxy-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde
CID 101082408
(2R)-2-acetyl-7-methoxy-2-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 101669248
Ethyl 3-acetyl-2-ethyl-6-formyl-2-methylpyran-4-carboxylate
CID 177555374

Frequently Asked Questions

What is the IUPAC name of (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde?
The IUPAC name of (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde (CID 131169372) is (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde.
What is the SMILES notation for (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde?
The canonical SMILES for (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde is COC1=CC(=O)[C@@]2(OC2C)C(C=O)=C1.
What is the InChIKey of (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde?
The InChIKey is ORWGIHAKBYDYCC-TYICEKJOSA-N. The full InChI is InChI=1S/C10H10O4/c1-6-10(14-6)7(5-11)3-8(13-2)4-9(10)12/h3-6H,1-2H3/t6?,10-/m0/s1.
What are the key properties of (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde?
(3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde has a molecular weight of 194.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methoxy-2-methyl-4-oxo-1-oxaspiro[2.5]octa-5,7-diene-8-carbaldehyde is sourced from PubChem (CID 131169372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).