methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate

C14H20O3 — CID 135021851

IUPACmethyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)O[C@H]([C@@]2(C)CCC=C2C)C1
InChIInChI=1S/C14H20O3/c1-9-6-5-7-14(9,3)12-8-11(10(2)17-12)13(15)16-4/h6,12H,5,7-8H2,1-4H3/t12-,14-/m0/s1
InChIKeyDPBKOOCLEPZTTQ-JSGCOSHPSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds2

About methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate

methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 135021851) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID135021851
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)O[C@H]([C@@]2(C)CCC=C2C)C1
InChIInChI=1S/C14H20O3/c1-9-6-5-7-14(9,3)12-8-11(10(2)17-12)13(15)16-4/h6,12H,5,7-8H2,1-4H3/t12-,14-/m0/s1
InChIKeyDPBKOOCLEPZTTQ-JSGCOSHPSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate with MolForge

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Related Compounds

dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
CID 15310424
methyl 5,5-dimethylcyclohexene-1-carboxylate
CID 20694542
methyl (2S,9R,16R)-2,6,6,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),12-diene-13-carboxylate
CID 11278945
trimethyl (1S,2R)-3-methylcyclopent-3-ene-1,2,4-tricarboxylate
CID 135039154
methyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
CID 14089449
dimethyl 11-oxatricyclo[4.4.1.01,6]undec-3-ene-3,4-dicarboxylate
CID 117069886
[(1S)-1,2-dimethylcyclopent-2-en-1-yl] acetate
CID 175827956
methyl 2,5,5,8a-tetramethyl-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylate
CID 585506
methyl (4S)-4-acetyloxy-4-cyano-2-methyl-5,6-dihydro-3aH-1-benzofuran-3-carboxylate
CID 101214747
methyl 3-(5,5-dimethylcyclopenten-1-yl)-4-methylbenzoate
CID 143860011
methyl (2R)-2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 125135891
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
CID 58200009

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 135021851) is methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(C)O[C@H]([C@@]2(C)CCC=C2C)C1.
What is the InChIKey of methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is DPBKOOCLEPZTTQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-6-5-7-14(9,3)12-8-11(10(2)17-12)13(15)16-4/h6,12H,5,7-8H2,1-4H3/t12-,14-/m0/s1.
What are the key properties of methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1S)-1,2-dimethylcyclopent-2-en-1-yl]-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 135021851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).