cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate

C11H18O3 — CID 131856208

IUPACcis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1CCC[C@]1(O)C(=O)OCC
InChIInChI=1S/C11H18O3/c1-4-14-10(12)11(13)7-5-6-9(11)8(2)3/h9,13H,2,4-7H2,1,3H3/t9-,11-/m1/s1
InChIKeyLFHLLRTWCCOSNA-MWLCHTKSSA-N
MW198.26 g/mol
LogP1.66
Rot. Bonds3

About cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate

cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 131856208) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID131856208
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1CCC[C@]1(O)C(=O)OCC
InChIInChI=1S/C11H18O3/c1-4-14-10(12)11(13)7-5-6-9(11)8(2)3/h9,13H,2,4-7H2,1,3H3/t9-,11-/m1/s1
InChIKeyLFHLLRTWCCOSNA-MWLCHTKSSA-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

trans-propan-2-yl (1S,2R)-1-hydroxy-2-methyl-5-methylidenecyclohexane-1-carboxylate
CID 10512735
Ethyl 2-hydroxy-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 11805414
methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 45098918
Propan-2-yl 1-hydroxy-3-methylidenecyclopentane-1-carboxylate
CID 60145240
Propan-2-yl 1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 73197413
Propan-2-yl 1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 85247477
cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate
CID 101758673
ethyl (2R)-1-hydroxy-2-prop-1-en-2-ylcyclohexane-1-carboxylate
CID 134992658
propan-2-yl (1R)-1-hydroxy-3-methylidenecyclohexane-1-carboxylate
CID 135069099
ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-[(1S)-2-methylidenecyclopentyl]propanoate
CID 15946013
ethyl (2R)-3,3,3-trifluoro-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]propanoate
CID 101452012
methyl (2R)-2-hydroxy-2-[(1R)-2-methylidenecyclopentyl]acetate
CID 11137551

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 131856208) is cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@H]1CCC[C@]1(O)C(=O)OCC.
What is the InChIKey of cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is LFHLLRTWCCOSNA-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-14-10(12)11(13)7-5-6-9(11)8(2)3/h9,13H,2,4-7H2,1,3H3/t9-,11-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate?
cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate 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 cis-ethyl (1R,2R)-1-hydroxy-2-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 131856208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).