dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate

C14H16O4 — CID 134459821

IUPACdimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
SMILESCOC(=O)c1cccc2c1CC(C(=O)OC)CC2
InChIInChI=1S/C14H16O4/c1-17-13(15)10-7-6-9-4-3-5-11(12(9)8-10)14(16)18-2/h3-5,10H,6-8H2,1-2H3
InChIKeyHQSMXPLETDHURO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.75
Rot. Bonds2

About dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate

dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate (PubChem CID 134459821) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
PubChem CID134459821
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Namedimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate
SMILESCOC(=O)c1cccc2c1CC(C(=O)OC)CC2
InChIInChI=1S/C14H16O4/c1-17-13(15)10-7-6-9-4-3-5-11(12(9)8-10)14(16)18-2/h3-5,10H,6-8H2,1-2H3
InChIKeyHQSMXPLETDHURO-UHFFFAOYSA-N
XLogP1.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 70230270
1-O-methyl 3-O-(1,2,3,4-tetrahydronaphthalene-2-carbonyl) benzene-1,3-dicarboxylate
CID 174466662
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 139770444
methyl 3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 130041121
methyl 7-hydroxy-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 57119337
methyl 1-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)azetidine-3-carboxylate
CID 135389934
methyl (1S)-1-amino-2,3-dihydro-1H-indene-4-carboxylate
CID 59505387
methyl 6-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 54194488
methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
CID 11085000

Frequently Asked Questions

What is the IUPAC name of dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate?
The IUPAC name of dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate (CID 134459821) is dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate.
What is the SMILES notation for dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate?
The canonical SMILES for dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate is COC(=O)c1cccc2c1CC(C(=O)OC)CC2.
What is the InChIKey of dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate?
The InChIKey is HQSMXPLETDHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-17-13(15)10-7-6-9-4-3-5-11(12(9)8-10)14(16)18-2/h3-5,10H,6-8H2,1-2H3.
What are the key properties of dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate?
dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,6,7,8-tetrahydronaphthalene-1,7-dicarboxylate is sourced from PubChem (CID 134459821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).