methyl 2,5-dimethylcyclopentene-1-carboxylate

C9H14O2 — CID 19823581

IUPACmethyl 2,5-dimethylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCC1C
InChIInChI=1S/C9H14O2/c1-6-4-5-7(2)8(6)9(10)11-3/h6H,4-5H2,1-3H3
InChIKeyYUJJSNJUAMNLIX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds1

About methyl 2,5-dimethylcyclopentene-1-carboxylate

methyl 2,5-dimethylcyclopentene-1-carboxylate (PubChem CID 19823581) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is methyl 2,5-dimethylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethylcyclopentene-1-carboxylate
PubChem CID19823581
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namemethyl 2,5-dimethylcyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C)CCC1C
InChIInChI=1S/C9H14O2/c1-6-4-5-7(2)8(6)9(10)11-3/h6H,4-5H2,1-3H3
InChIKeyYUJJSNJUAMNLIX-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Isobenzofurandione, tetrahydro-5-methyl-
CID 118131
1-Cyclohexene-1-carboxylic acid, 2-ethyl-3,6,6-trimethyl-, ethyl ester
CID 175609
2-Hexyl-3-methylmaleic anhydride
CID 11127184
Methyl 4-(prop-1-en-2-yl)cyclohex-1-enecarboxylate
CID 4453437
(4S,10R)-10-Ethyl-5,9,10,11-tetrahydro-4-propyl-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
CID 164723
Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate
CID 136763
Methyl (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
CID 14159029
1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
CID 78039
Cyclohexene-1,2-dicarboxylic acid, bis(2-ethylhexyl) ester
CID 94201
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
Dimethyl bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304405
3-Methyl-4-pentylfuran-2,5-dione
CID 76319690

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethylcyclopentene-1-carboxylate?
The IUPAC name of methyl 2,5-dimethylcyclopentene-1-carboxylate (CID 19823581) is methyl 2,5-dimethylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2,5-dimethylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 2,5-dimethylcyclopentene-1-carboxylate is COC(=O)C1=C(C)CCC1C.
What is the InChIKey of methyl 2,5-dimethylcyclopentene-1-carboxylate?
The InChIKey is YUJJSNJUAMNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-5-7(2)8(6)9(10)11-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2,5-dimethylcyclopentene-1-carboxylate?
methyl 2,5-dimethylcyclopentene-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethylcyclopentene-1-carboxylate is sourced from PubChem (CID 19823581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).