2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate

C10H16O3 — CID 163379852

IUPAC2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
SMILESCOCCOC(=O)[C@@H]1C=CC(C)C1
InChIInChI=1S/C10H16O3/c1-8-3-4-9(7-8)10(11)13-6-5-12-2/h3-4,8-9H,5-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyLUENVHAOHVIQKM-YGPZHTELSA-N
MW184.23 g/mol
LogP1.39
Rot. Bonds4

About 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate

2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate (PubChem CID 163379852) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
PubChem CID163379852
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
SMILESCOCCOC(=O)[C@@H]1C=CC(C)C1
InChIInChI=1S/C10H16O3/c1-8-3-4-9(7-8)10(11)13-6-5-12-2/h3-4,8-9H,5-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyLUENVHAOHVIQKM-YGPZHTELSA-N
XLogP1.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359
1-(4-methylcyclopent-2-en-1-yl)propan-1-one
CID 59444303
2-propoxyethyl 4-aminocyclopent-2-ene-1-carboxylate
CID 79210072
bicyclo[2.2.1]hept-2-ene;2-methoxyethyl acetate
CID 66605117
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770501
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102406516
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770545
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
1-O-[2-(ditert-butylamino)ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
CID 164933268
1-O-[2-[di(propan-2-yl)amino]ethyl] 4-O-(2-methoxyethyl) cyclohexane-1,4-dicarboxylate
CID 164933282

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate?
The IUPAC name of 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate (CID 163379852) is 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate is COCCOC(=O)[C@@H]1C=CC(C)C1.
What is the InChIKey of 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate?
The InChIKey is LUENVHAOHVIQKM-YGPZHTELSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-3-4-9(7-8)10(11)13-6-5-12-2/h3-4,8-9H,5-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate?
2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 163379852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).