methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

C11H18O3 — CID 45098918

IUPACmethyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@]1(O)C(=O)OC
InChIInChI=1S/C11H18O3/c1-7(2)9-6-5-8(3)11(9,13)10(12)14-4/h8-9,13H,1,5-6H2,2-4H3/t8-,9-,11-/m1/s1
InChIKeyWEACCMGBGIBICL-FXPVBKGRSA-N
MW198.26 g/mol
LogP1.51
Rot. Bonds2

About methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate

methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (PubChem CID 45098918) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
PubChem CID45098918
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate
SMILESC=C(C)[C@H]1CC[C@@H](C)[C@]1(O)C(=O)OC
InChIInChI=1S/C11H18O3/c1-7(2)9-6-5-8(3)11(9,13)10(12)14-4/h8-9,13H,1,5-6H2,2-4H3/t8-,9-,11-/m1/s1
InChIKeyWEACCMGBGIBICL-FXPVBKGRSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate (CID 45098918) is methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is C=C(C)[C@H]1CC[C@@H](C)[C@]1(O)C(=O)OC.
What is the InChIKey of methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
The InChIKey is WEACCMGBGIBICL-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)9-6-5-8(3)11(9,13)10(12)14-4/h8-9,13H,1,5-6H2,2-4H3/t8-,9-,11-/m1/s1.
What are the key properties of methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate?
methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 45098918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).