trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate

C11H20O3 — CID 100924279

IUPACtrans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
SMILESCCCC[C@@]1(C(=O)OC)CCC[C@H]1O
InChIInChI=1S/C11H20O3/c1-3-4-7-11(10(13)14-2)8-5-6-9(11)12/h9,12H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyKSFRJEOPTJEUHX-MWLCHTKSSA-N
MW200.28 g/mol
LogP1.88
Rot. Bonds4

About trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate

trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate (PubChem CID 100924279) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
PubChem CID100924279
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametrans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate
SMILESCCCC[C@@]1(C(=O)OC)CCC[C@H]1O
InChIInChI=1S/C11H20O3/c1-3-4-7-11(10(13)14-2)8-5-6-9(11)12/h9,12H,3-8H2,1-2H3/t9-,11-/m1/s1
InChIKeyKSFRJEOPTJEUHX-MWLCHTKSSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
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2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
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1-butyl-2-ethoxycycloundecane-1-carboxylic acid
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trans-methyl (1S,2R)-2-hydroxy-1-methylcyclohexane-1-carboxylate
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cis-1-O-ethyl 2-O-methyl (1R,2R)-1-butylcyclopropane-1,2-dicarboxylate
CID 10966254
methyl 1-propylcyclobutane-1-carboxylate
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2-butyl-2-ethylcyclohexane-1,3-diol
CID 175397332
methyl 3-hydroxy-1-propylcyclopentane-1-carboxylate
CID 67858041
trans-ethyl (1S,2S)-2-hydroxy-1-[(E)-6-phenylmethoxyhex-4-enyl]cyclopentane-1-carboxylate
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methyl 1-(4-ethoxy-4-oxobutyl)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate (CID 100924279) is trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate is CCCC[C@@]1(C(=O)OC)CCC[C@H]1O.
What is the InChIKey of trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate?
The InChIKey is KSFRJEOPTJEUHX-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-4-7-11(10(13)14-2)8-5-6-9(11)12/h9,12H,3-8H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate?
trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-1-butyl-2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 100924279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).