methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate

C13H14O2 — CID 58055424

IUPACmethyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C(C)CC2
InChIInChI=1S/C13H14O2/c1-9-3-4-10-5-6-11(13(14)15-2)8-12(10)7-9/h5-8H,3-4H2,1-2H3
InChIKeyUBECMLDAGXGROQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.82
Rot. Bonds1

About methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate

methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 58055424) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate
PubChem CID58055424
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namemethyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C(C)CC2
InChIInChI=1S/C13H14O2/c1-9-3-4-10-5-6-11(13(14)15-2)8-12(10)7-9/h5-8H,3-4H2,1-2H3
InChIKeyUBECMLDAGXGROQ-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate (CID 58055424) is methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C=C(C)CC2.
What is the InChIKey of methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is UBECMLDAGXGROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-9-3-4-10-5-6-11(13(14)15-2)8-12(10)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate?
methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 58055424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).