ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate

C18H24O4 — CID 11580339

IUPACethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=CC1(C)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C18H24O4/c1-6-22-17(19)13-8-7-9-18(13,3)14-11-15(20-4)12(2)10-16(14)21-5/h7,9-11,13H,6,8H2,1-5H3
InChIKeyRVUSUJJKVHGMKI-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.41
Rot. Bonds5

About ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate

ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate (PubChem CID 11580339) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate
PubChem CID11580339
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=CC1(C)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C18H24O4/c1-6-22-17(19)13-8-7-9-18(13,3)14-11-15(20-4)12(2)10-16(14)21-5/h7,9-11,13H,6,8H2,1-5H3
InChIKeyRVUSUJJKVHGMKI-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.41
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 ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate (CID 11580339) is ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate is CCOC(=O)C1CC=CC1(C)c1cc(OC)c(C)cc1OC.
What is the InChIKey of ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate?
The InChIKey is RVUSUJJKVHGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-6-22-17(19)13-8-7-9-18(13,3)14-11-15(20-4)12(2)10-16(14)21-5/h7,9-11,13H,6,8H2,1-5H3.
What are the key properties of ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate?
ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethoxy-4-methylphenyl)-2-methylcyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 11580339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).