3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate

C15H18O4 — CID 10611493

IUPAC3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2c(cc1C(=O)OC)CCCC2
InChIInChI=1S/C15H18O4/c1-3-19-15(17)13-9-11-7-5-4-6-10(11)8-12(13)14(16)18-2/h8-9H,3-7H2,1-2H3
InChIKeyJKQMJVIZNXDLDL-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.53
Rot. Bonds3

About 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate

3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate (PubChem CID 10611493) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
PubChem CID10611493
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
SMILESCCOC(=O)c1cc2c(cc1C(=O)OC)CCCC2
InChIInChI=1S/C15H18O4/c1-3-19-15(17)13-9-11-7-5-4-6-10(11)8-12(13)14(16)18-2/h8-9H,3-7H2,1-2H3
InChIKeyJKQMJVIZNXDLDL-UHFFFAOYSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate
CID 54181784
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
methyl 6-bromo-2,3-dihydro-1H-indene-5-carboxylate
CID 125427256
2-O-ethyl 1-O-methyl 4-methoxybenzene-1,2-dicarboxylate
CID 174563533
3-ethoxycarbonyl-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 46741372
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
methyl bicyclo[6.2.2]dodeca-1(10),8,11-triene-9-carboxylate
CID 13082513

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate (CID 10611493) is 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate is CCOC(=O)c1cc2c(cc1C(=O)OC)CCCC2.
What is the InChIKey of 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate?
The InChIKey is JKQMJVIZNXDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-3-19-15(17)13-9-11-7-5-4-6-10(11)8-12(13)14(16)18-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate?
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 10611493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).