methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate

C10H10O4 — CID 11229320

IUPACmethyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate
SMILESCOC(=O)COC1=CC2C=CC(=O)C12
InChIInChI=1S/C10H10O4/c1-13-9(12)5-14-8-4-6-2-3-7(11)10(6)8/h2-4,6,10H,5H2,1H3
InChIKeyAUWDITWZOSVKFV-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate

methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate (PubChem CID 11229320) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate
PubChem CID11229320
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate
SMILESCOC(=O)COC1=CC2C=CC(=O)C12
InChIInChI=1S/C10H10O4/c1-13-9(12)5-14-8-4-6-2-3-7(11)10(6)8/h2-4,6,10H,5H2,1H3
InChIKeyAUWDITWZOSVKFV-UHFFFAOYSA-N
XLogP0.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (5Z)-2-methyl-7-oxo-3-propan-2-yl-3,4-dihydro-2H-oxocine-8-carboxylate
CID 123325487
(4-Oxo-3-bicyclo[3.2.0]hepta-2,6-dienyl) acetate
CID 12719137
7-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 45090853
2-[(4-Oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetic acid
CID 129994823
2-[[(1R,5S)-4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl]oxy]acetic acid
CID 131115198

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate?
The IUPAC name of methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate (CID 11229320) is methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate.
What is the SMILES notation for methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate?
The canonical SMILES for methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate is COC(=O)COC1=CC2C=CC(=O)C12.
What is the InChIKey of methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate?
The InChIKey is AUWDITWZOSVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-9(12)5-14-8-4-6-2-3-7(11)10(6)8/h2-4,6,10H,5H2,1H3.
What are the key properties of methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate?
methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate has a molecular weight of 194.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)oxy]acetate is sourced from PubChem (CID 11229320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).