methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

C14H18O2 — CID 13126292

IUPACmethyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1c(C)cc2c(c1C)CCCC2
InChIInChI=1S/C14H18O2/c1-9-8-11-6-4-5-7-12(11)10(2)13(9)14(15)16-3/h8H,4-7H2,1-3H3
InChIKeyPGOKIVSDWLHZQF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.97
Rot. Bonds1

About methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate

methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 13126292) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
PubChem CID13126292
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)c1c(C)cc2c(c1C)CCCC2
InChIInChI=1S/C14H18O2/c1-9-8-11-6-4-5-7-12(11)10(2)13(9)14(15)16-3/h8H,4-7H2,1-3H3
InChIKeyPGOKIVSDWLHZQF-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-chloro-2-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-4-carboxylate
CID 171787690
1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 143873260
methyl 3-hydroxy-4-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 12725569
methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11521576
methyl 6-chloro-5-(difluoromethoxy)-2,3-dihydro-1H-indene-4-carboxylate
CID 171787737
methyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 59887387
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
diethyl 3-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene-2,4-dicarboxylate
CID 102151340
2-fluoro-3-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 171787705
methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7287248
methyl 7-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 84674999
ethane;methyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate
CID 144811318

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 13126292) is methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is COC(=O)c1c(C)cc2c(c1C)CCCC2.
What is the InChIKey of methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
The InChIKey is PGOKIVSDWLHZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-8-11-6-4-5-7-12(11)10(2)13(9)14(15)16-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate?
methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 13126292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).