dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate

C15H18O5 — CID 134929299

IUPACdimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc(C)c(O)c(C)c2C1
InChIInChI=1S/C15H18O5/c1-8-5-10-6-15(13(17)19-3,14(18)20-4)7-11(10)9(2)12(8)16/h5,16H,6-7H2,1-4H3
InChIKeyAVDOAKWRKDQGAL-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.44
Rot. Bonds2

About dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate

dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate (PubChem CID 134929299) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
PubChem CID134929299
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Namedimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2cc(C)c(O)c(C)c2C1
InChIInChI=1S/C15H18O5/c1-8-5-10-6-15(13(17)19-3,14(18)20-4)7-11(10)9(2)12(8)16/h5,16H,6-7H2,1-4H3
InChIKeyAVDOAKWRKDQGAL-UHFFFAOYSA-N
XLogP1.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
dimethyl 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methyl-1,3-dihydroindene-2,2-dicarboxylate
CID 102184577
dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate
CID 101357266
ethane;methyl 1-(4-hydroxy-3,5-dimethylphenyl)cyclopropane-1-carboxylate
CID 143988638
tetramethyl 4-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14)-pentaene-7,7,12,12-tetracarboxylate
CID 102483815
dimethyl 6-methoxy-5-trimethylsilyl-4-(2-trimethylsilylethynyl)-1,3-dihydroindene-2,2-dicarboxylate
CID 71680037
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101408805
diethyl 4-methyl-1,3,6,8-tetrahydrocyclopenta[e][2]benzofuran-7,7-dicarboxylate
CID 11088426
methyl 1-(4-hydroxy-3-iodo-5-methylphenyl)cyclopropane-1-carboxylate
CID 59272528
dimethyl 2-(2,6-dimethylphenyl)-1,4-dimethyl-3-oxo-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101351000
dimethyl 6-methoxy-5,8-dioxo-1,3-dihydrocyclopenta[b]naphthalene-2,2-dicarboxylate
CID 162663502

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate?
The IUPAC name of dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate (CID 134929299) is dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate?
The canonical SMILES for dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2cc(C)c(O)c(C)c2C1.
What is the InChIKey of dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate?
The InChIKey is AVDOAKWRKDQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-8-5-10-6-15(13(17)19-3,14(18)20-4)7-11(10)9(2)12(8)16/h5,16H,6-7H2,1-4H3.
What are the key properties of dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate?
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate has a molecular weight of 278.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate is sourced from PubChem (CID 134929299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).