dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate

C15H12O6 — CID 10827176

IUPACdimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C1C(C2=O)[C@H]1C(=O)OC
InChIInChI=1S/C15H12O6/c1-20-14(18)6-3-4-7-8(5-6)13(17)10-9(12(7)16)11(10)15(19)21-2/h3-5,9-11H,1-2H3/t9?,10?,11-/m1/s1
InChIKeyYZSHYMYCCZPTTB-VQXHTEKXSA-N
MW288.26 g/mol
LogP0.89
Rot. Bonds2

About dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate

dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate (PubChem CID 10827176) has the molecular formula C15H12O6 and a molecular weight of 288.26 g/mol. Its IUPAC name is dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate
PubChem CID10827176
Molecular FormulaC15H12O6
Molecular Weight288.26 g/mol
Exact Mass288.06
IUPAC Namedimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C1C(C2=O)[C@H]1C(=O)OC
InChIInChI=1S/C15H12O6/c1-20-14(18)6-3-4-7-8(5-6)13(17)10-9(12(7)16)11(10)15(19)21-2/h3-5,9-11H,1-2H3/t9?,10?,11-/m1/s1
InChIKeyYZSHYMYCCZPTTB-VQXHTEKXSA-N
XLogP0.89
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

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Related Compounds

dimethyl 9,10-dihydroxy-9,10-dihydrophenanthrene-2,7-dicarboxylate
CID 138453798
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 3-iodo-4-(2-iodo-4-methoxycarbonylphenyl)benzoate
CID 11375867
methyl (9E)-9-(2-methoxycarbonylfluoren-9-ylidene)fluorene-2-carboxylate
CID 14593436
methyl 3,4-bis(4-hydroxyphenyl)benzoate
CID 22669999
methyl 6-methyl-5,8-dioxonaphthalene-2-carboxylate
CID 12772824
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
CID 58406815
methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
methyl 6,6-diethyl-5-oxo-7,8-dihydronaphthalene-2-carboxylate
CID 102085766
methyl 1,3-dimethyl-2,2,4-trioxo-2λ6,1-benzothiazine-7-carboxylate
CID 178078542
methyl 9-oxo-6-trimethylstannylfluorene-2-carboxylate
CID 15661384
methyl 10-(3-methoxycarbonyl-10-oxo-9H-anthracen-9-yl)-9-oxo-10H-anthracene-2-carboxylate
CID 4639370

Frequently Asked Questions

What is the IUPAC name of dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate?
The IUPAC name of dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate (CID 10827176) is dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate?
The canonical SMILES for dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate is COC(=O)c1ccc2c(c1)C(=O)C1C(C2=O)[C@H]1C(=O)OC.
What is the InChIKey of dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate?
The InChIKey is YZSHYMYCCZPTTB-VQXHTEKXSA-N. The full InChI is InChI=1S/C15H12O6/c1-20-14(18)6-3-4-7-8(5-6)13(17)10-9(12(7)16)11(10)15(19)21-2/h3-5,9-11H,1-2H3/t9?,10?,11-/m1/s1.
What are the key properties of dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate?
dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate has a molecular weight of 288.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R)-2,7-dioxo-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-1,4-dicarboxylate is sourced from PubChem (CID 10827176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).