methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate

C9H12O2 — CID 176533311

IUPACmethyl 5-ethylcyclopenta-1,3-diene-1-carboxylate
SMILESCCC1C=CC=C1C(=O)OC
InChIInChI=1S/C9H12O2/c1-3-7-5-4-6-8(7)9(10)11-2/h4-7H,3H2,1-2H3
InChIKeyNBNAZZWSGITLNL-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.68
Rot. Bonds2

About methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate

methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate (PubChem CID 176533311) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethylcyclopenta-1,3-diene-1-carboxylate
PubChem CID176533311
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl 5-ethylcyclopenta-1,3-diene-1-carboxylate
SMILESCCC1C=CC=C1C(=O)OC
InChIInChI=1S/C9H12O2/c1-3-7-5-4-6-8(7)9(10)11-2/h4-7H,3H2,1-2H3
InChIKeyNBNAZZWSGITLNL-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-prop-1-en-2-ylcyclopenta-1,3-diene
CID 142452108
methyl 2,3,3a,7a-tetrahydro-1H-benzimidazole-4-carboxylate
CID 91144826
methyl 3-propylcyclopropene-1-carboxylate
CID 23457985
dimethyl 3-ethylcyclohexa-1,4-diene-1,2-dicarboxylate
CID 101441624
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
dimethyl 1,2-dihydroxycyclohexa-3,5-diene-1,3-dicarboxylate
CID 67068970
methyl 5-[2-(5-methoxy-5-oxopentanoyl)cyclopenta-2,4-dien-1-yl]-5-oxopentanoate
CID 174384026
methyl 2-hydroxy-2H-pyran-6-carboxylate
CID 174562312
methyl 3-methyl-3H-azepine-7-carboxylate
CID 134384068
tetramethyl cyclohexa-2,5-diene-1,2,3,4-tetracarboxylate
CID 101243540
dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate
CID 163111426
(5-ethylcyclopenta-1,3-dien-1-yl)oxy-trimethylsilane
CID 158889903

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate (CID 176533311) is methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate is CCC1C=CC=C1C(=O)OC.
What is the InChIKey of methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate?
The InChIKey is NBNAZZWSGITLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-7-5-4-6-8(7)9(10)11-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate?
methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate has a molecular weight of 152.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethylcyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 176533311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).