ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate

C10H16O2 — CID 158121003

IUPACethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CC=C(C)C1
InChIInChI=1S/C10H16O2/c1-4-12-9(11)10(3)6-5-8(2)7-10/h5H,4,6-7H2,1-3H3
InChIKeyFRPJFVDOGIAIKV-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds2

About ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate

ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate (PubChem CID 158121003) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
PubChem CID158121003
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(C)CC=C(C)C1
InChIInChI=1S/C10H16O2/c1-4-12-9(11)10(3)6-5-8(2)7-10/h5H,4,6-7H2,1-3H3
InChIKeyFRPJFVDOGIAIKV-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dipropyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
CID 66858398
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
ethyl 3-(methoxymethylidene)-1-methylcyclobutane-1-carboxylate
CID 155591680
ethyl (1R,2S)-1,3-dimethyl-2-methylsulfanylcyclopent-3-ene-1-carboxylate
CID 10846319
ethyl (1S)-1-methyl-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
CID 129379274
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
CID 58182482
CID 58182482
ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate
CID 3019437
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 3-methyl-1-phenylazetidine-3-carboxylate
CID 134994378
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
diethyl cyclobut-2-ene-1,1-dicarboxylate
CID 141086689

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate (CID 158121003) is ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate is CCOC(=O)C1(C)CC=C(C)C1.
What is the InChIKey of ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate?
The InChIKey is FRPJFVDOGIAIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-12-9(11)10(3)6-5-8(2)7-10/h5H,4,6-7H2,1-3H3.
What are the key properties of ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate?
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 158121003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).