methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C13H16O2 — CID 12778765

IUPACmethyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2cccc(C)c21
InChIInChI=1S/C13H16O2/c1-9-5-3-6-10-7-4-8-11(12(9)10)13(14)15-2/h3,5-6,11H,4,7-8H2,1-2H3
InChIKeyOUGYILUXDBKBQI-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.59
Rot. Bonds1

About methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate

methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 12778765) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID12778765
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)C1CCCc2cccc(C)c21
InChIInChI=1S/C13H16O2/c1-9-5-3-6-10-7-4-8-11(12(9)10)13(14)15-2/h3,5-6,11H,4,7-8H2,1-2H3
InChIKeyOUGYILUXDBKBQI-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
CID 82585288
methyl 2,5-dimethyl-3,4-dihydro-1H-isoquinoline-4-carboxylate
CID 82585279
8-methyl-1,2,3,4-tetrahydronaphthalene-1-thiol
CID 153397190
methyl 3-chloro-4-methyl-2,3-dihydro-1H-indene-1-carboxylate
CID 144594436
methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125
methyl 2-benzhydrylidenecyclohexane-1-carboxylate
CID 131851980
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
methyl 2-methylidenecyclopentane-1-carboxylate
CID 557112
methyl 3-(4-methylphenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 138754844
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105456735
2-(8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 83829383
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 12778765) is methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate is COC(=O)C1CCCc2cccc(C)c21.
What is the InChIKey of methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is OUGYILUXDBKBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-9-5-3-6-10-7-4-8-11(12(9)10)13(14)15-2/h3,5-6,11H,4,7-8H2,1-2H3.
What are the key properties of methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 12778765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).