methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate

C15H24O4 — CID 177460290

IUPACmethyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate
SMILESC=C(C)[C@@H]1CC=C(COC(C)OCC)[C@@H]1C(=O)OC
InChIInChI=1S/C15H24O4/c1-6-18-11(4)19-9-12-7-8-13(10(2)3)14(12)15(16)17-5/h7,11,13-14H,2,6,8-9H2,1,3-5H3/t11?,13-,14-/m0/s1
InChIKeyFQYOHZHAHKFAIJ-VNXPTHQBSA-N
MW268.35 g/mol
LogP2.70
Rot. Bonds7

About methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate

methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate (PubChem CID 177460290) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate
PubChem CID177460290
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate
SMILESC=C(C)[C@@H]1CC=C(COC(C)OCC)[C@@H]1C(=O)OC
InChIInChI=1S/C15H24O4/c1-6-18-11(4)19-9-12-7-8-13(10(2)3)14(12)15(16)17-5/h7,11,13-14H,2,6,8-9H2,1,3-5H3/t11?,13-,14-/m0/s1
InChIKeyFQYOHZHAHKFAIJ-VNXPTHQBSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-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

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate (CID 177460290) is methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate is C=C(C)[C@@H]1CC=C(COC(C)OCC)[C@@H]1C(=O)OC.
What is the InChIKey of methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate?
The InChIKey is FQYOHZHAHKFAIJ-VNXPTHQBSA-N. The full InChI is InChI=1S/C15H24O4/c1-6-18-11(4)19-9-12-7-8-13(10(2)3)14(12)15(16)17-5/h7,11,13-14H,2,6,8-9H2,1,3-5H3/t11?,13-,14-/m0/s1.
What are the key properties of methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate?
methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R)-2-(1-ethoxyethoxymethyl)-5-prop-1-en-2-ylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 177460290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).