ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate

C11H18O3 — CID 15749040

IUPACethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1(O)C=CCC1(C)C
InChIInChI=1S/C11H18O3/c1-4-14-9(12)8-11(13)7-5-6-10(11,2)3/h5,7,13H,4,6,8H2,1-3H3
InChIKeyRKQCLHXJJWBMSR-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds3

About ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate

ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate (PubChem CID 15749040) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate
PubChem CID15749040
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1(O)C=CCC1(C)C
InChIInChI=1S/C11H18O3/c1-4-14-9(12)8-11(13)7-5-6-10(11,2)3/h5,7,13H,4,6,8H2,1-3H3
InChIKeyRKQCLHXJJWBMSR-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 11063236
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ethyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)acetate
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ethyl 2-(2-methyl-3-oxo-1,3-oxathiolan-2-yl)acetate
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ethyl 2-hydroxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 21430990
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879
ethyl 1-bromocyclobut-2-ene-1-carboxylate
CID 87711721
ethyl 2-[(1R,4aS,8aS)-1,4a,6-trimethyl-5-oxo-8,8a-dihydro-4H-naphthalen-1-yl]acetate
CID 101059028
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 142858337
diethyl cyclopent-3-ene-1,1-dicarboxylate;diethyl propanedioate
CID 159778737

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate (CID 15749040) is ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate is CCOC(=O)CC1(O)C=CCC1(C)C.
What is the InChIKey of ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate?
The InChIKey is RKQCLHXJJWBMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-14-9(12)8-11(13)7-5-6-10(11,2)3/h5,7,13H,4,6,8H2,1-3H3.
What are the key properties of ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate?
ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate has a molecular weight of 198.26 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 15749040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).