methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate

C10H14O4 — CID 10679454

IUPACmethyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate
SMILESCOC(=O)[C@]1(C)CC=C[C@H]1OC(C)=O
InChIInChI=1S/C10H14O4/c1-7(11)14-8-5-4-6-10(8,2)9(12)13-3/h4-5,8H,6H2,1-3H3/t8-,10-/m1/s1
InChIKeyZEAAOONJVQRFJI-PSASIEDQSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

About methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate

methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate (PubChem CID 10679454) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate
PubChem CID10679454
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate
SMILESCOC(=O)[C@]1(C)CC=C[C@H]1OC(C)=O
InChIInChI=1S/C10H14O4/c1-7(11)14-8-5-4-6-10(8,2)9(12)13-3/h4-5,8H,6H2,1-3H3/t8-,10-/m1/s1
InChIKeyZEAAOONJVQRFJI-PSASIEDQSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate (CID 10679454) is methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate is COC(=O)[C@]1(C)CC=C[C@H]1OC(C)=O.
What is the InChIKey of methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate?
The InChIKey is ZEAAOONJVQRFJI-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(11)14-8-5-4-6-10(8,2)9(12)13-3/h4-5,8H,6H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate?
methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-2-acetyloxy-1-methylcyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 10679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).