butyl (2R)-2-cyclopentyl-2-hydroxyacetate

C11H20O3 — CID 177105637

IUPACbutyl (2R)-2-cyclopentyl-2-hydroxyacetate
SMILESCCCCOC(=O)[C@H](O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-2-3-8-14-11(13)10(12)9-6-4-5-7-9/h9-10,12H,2-8H2,1H3/t10-/m1/s1
InChIKeyMEIJXIPYRVOMAD-SNVBAGLBSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds5

About butyl (2R)-2-cyclopentyl-2-hydroxyacetate

butyl (2R)-2-cyclopentyl-2-hydroxyacetate (PubChem CID 177105637) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl (2R)-2-cyclopentyl-2-hydroxyacetate.

Molecular Properties

Compound Namebutyl (2R)-2-cyclopentyl-2-hydroxyacetate
PubChem CID177105637
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namebutyl (2R)-2-cyclopentyl-2-hydroxyacetate
SMILESCCCCOC(=O)[C@H](O)C1CCCC1
InChIInChI=1S/C11H20O3/c1-2-3-8-14-11(13)10(12)9-6-4-5-7-9/h9-10,12H,2-8H2,1H3/t10-/m1/s1
InChIKeyMEIJXIPYRVOMAD-SNVBAGLBSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-butyl 4-O-(1-cyclopentylethyl) butanedioate
CID 91702667
octyl 2-amino-2-cyclohexylacetate
CID 63539863
butyl 4-hydroxy-4-(oxan-3-yl)butanoate
CID 63739101
1-O-butyl 3-O-(1-cyclohexylethyl) 2-butylpropanedioate
CID 174872844
butyl 2-(cyclooctylamino)acetate
CID 54917785
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
butoxy(cyclohexyl)methanol
CID 89347064
2-cyclopentyl-2-hydroxyethaneperoxoic acid
CID 90238839
butyl 2-(3-chloropropoxycarbonylamino)-2-cyclohexylacetate
CID 91736802
(1R,2S)-2-butoxy-1-cyclopentylpropan-1-ol
CID 121465824
propyl 2-amino-2-cyclohexylacetate
CID 61016884
butyl 4-cyclopentylbutanoate
CID 175866077

Frequently Asked Questions

What is the IUPAC name of butyl (2R)-2-cyclopentyl-2-hydroxyacetate?
The IUPAC name of butyl (2R)-2-cyclopentyl-2-hydroxyacetate (CID 177105637) is butyl (2R)-2-cyclopentyl-2-hydroxyacetate.
What is the SMILES notation for butyl (2R)-2-cyclopentyl-2-hydroxyacetate?
The canonical SMILES for butyl (2R)-2-cyclopentyl-2-hydroxyacetate is CCCCOC(=O)[C@H](O)C1CCCC1.
What is the InChIKey of butyl (2R)-2-cyclopentyl-2-hydroxyacetate?
The InChIKey is MEIJXIPYRVOMAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-8-14-11(13)10(12)9-6-4-5-7-9/h9-10,12H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of butyl (2R)-2-cyclopentyl-2-hydroxyacetate?
butyl (2R)-2-cyclopentyl-2-hydroxyacetate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R)-2-cyclopentyl-2-hydroxyacetate is sourced from PubChem (CID 177105637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).