ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate

C10H14O2 — CID 14591647

IUPACethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(C)C=C(C)C1
InChIInChI=1S/C10H14O2/c1-4-12-10(11)9-6-7(2)5-8(9)3/h5H,4,6H2,1-3H3
InChIKeyXMRGSOXTGJHRDX-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds2

About ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate

ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate (PubChem CID 14591647) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate
PubChem CID14591647
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(C)C=C(C)C1
InChIInChI=1S/C10H14O2/c1-4-12-10(11)9-6-7(2)5-8(9)3/h5H,4,6H2,1-3H3
InChIKeyXMRGSOXTGJHRDX-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2,4-dimethylcyclopenta-1,3-diene-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

Related Compounds

Geranyl valerate
CID 5365850
Neryl valerate
CID 6436375
1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
CID 118201
3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
Alpha,beta-acariolide
CID 11041080
T39Butenolide
CID 76322782
3-[(3E,7E,11E)-4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-2H-furan-5-one
CID 10090584
Manshurolide
CID 14527198
3-Methyl-4-propyl-2,5-furandione
CID 580987
Methyl 2-propylpent-2-enoate
CID 10241045
3-butyl-2(5H)-furanone
CID 11768654
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate (CID 14591647) is ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate is CCOC(=O)C1=C(C)C=C(C)C1.
What is the InChIKey of ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate?
The InChIKey is XMRGSOXTGJHRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-12-10(11)9-6-7(2)5-8(9)3/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate?
ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethylcyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 14591647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).