methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate

C16H16O2 — CID 11053773

IUPACmethyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
SMILESCOC(=O)[C@@]1(C)c2cccc3cccc(c23)[C@H]1C
InChIInChI=1S/C16H16O2/c1-10-12-8-4-6-11-7-5-9-13(14(11)12)16(10,2)15(17)18-3/h4-10H,1-3H3/t10-,16-/m1/s1
InChIKeyYNMUKXQJVZKBIM-QLJPJBMISA-N
MW240.30 g/mol
LogP3.39
Rot. Bonds1

About methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate

methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate (PubChem CID 11053773) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
PubChem CID11053773
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
SMILESCOC(=O)[C@@]1(C)c2cccc3cccc(c23)[C@H]1C
InChIInChI=1S/C16H16O2/c1-10-12-8-4-6-11-7-5-9-13(14(11)12)16(10,2)15(17)18-3/h4-10H,1-3H3/t10-,16-/m1/s1
InChIKeyYNMUKXQJVZKBIM-QLJPJBMISA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium (1R,2S)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
CID 134980074
2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene
CID 86048106
(1S)-2,2-dimethyl-1H-acenaphthylene-1-carboxylic acid
CID 125481192
cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
CID 11184053
dimethyl 2-naphthalen-1-ylcyclopropane-1,1-dicarboxylate
CID 132540327
methyl (11S,13R)-pentacyclo[7.5.1.05,15.010,14.011,13]pentadeca-1,3,5(15),6,8-pentaene-12-carboxylate
CID 23270818
1-(1-methyl-2H-acenaphthylen-1-yl)ethanone
CID 11310341
2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
CID 166056915
1-ethyl-2,2-dimethyl-1H-acenaphthylene
CID 172628060
methyl 1,2,3,7b-tetrahydrocyclopropa[c]isoquinoline-1a-carboxylate;hydrochloride
CID 91798750
methyl 5-naphthalen-1-yltetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylate
CID 102021158
dimethyl (1R,2R,3S,14R,15S,16S,17S,27R)-5,12-dimethoxy-28-oxanonacyclo[14.11.1.13,14.118,22.02,15.04,13.06,11.017,27.026,29]triaconta-4,6,8,10,12,18,20,22(29),23,25-decaene-1,16-dicarboxylate
CID 11330475

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate (CID 11053773) is methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate is COC(=O)[C@@]1(C)c2cccc3cccc(c23)[C@H]1C.
What is the InChIKey of methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate?
The InChIKey is YNMUKXQJVZKBIM-QLJPJBMISA-N. The full InChI is InChI=1S/C16H16O2/c1-10-12-8-4-6-11-7-5-9-13(14(11)12)16(10,2)15(17)18-3/h4-10H,1-3H3/t10-,16-/m1/s1.
What are the key properties of methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate?
methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate is sourced from PubChem (CID 11053773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).