methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate

C11H16O5 — CID 123612113

IUPACmethyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate
SMILESC=C1[C@H](O)C[C@H](OC(C)=O)[C@@H]1CC(=O)OC
InChIInChI=1S/C11H16O5/c1-6-8(4-11(14)15-3)10(5-9(6)13)16-7(2)12/h8-10,13H,1,4-5H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyLZAUZKUWNQTYIJ-BBBLOLIVSA-N
MW228.24 g/mol
LogP0.42
Rot. Bonds3

About methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate

methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate (PubChem CID 123612113) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate
PubChem CID123612113
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate
SMILESC=C1[C@H](O)C[C@H](OC(C)=O)[C@@H]1CC(=O)OC
InChIInChI=1S/C11H16O5/c1-6-8(4-11(14)15-3)10(5-9(6)13)16-7(2)12/h8-10,13H,1,4-5H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyLZAUZKUWNQTYIJ-BBBLOLIVSA-N
XLogP0.42
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
methyl 2-(2-acetyloxy-5-oxocyclopent-3-en-1-yl)acetate
CID 14089289
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate
CID 538040
methyl (1S,2R,3R,5S,6S)-3-acetyloxy-5-formyl-2-methoxy-6-(2-methoxy-2-oxoethyl)cyclohexane-1-carboxylate
CID 11024000
[(1R,3R,5R)-3-hydroxy-2-methylidene-5-prop-1-en-2-ylcyclohexyl] acetate
CID 11321770
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
methyl 2-(2-ethyl-3,3-dimethyl-4-methylidenecyclobutyl)acetate
CID 135069412
methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate
CID 90274160
methyl 2-[(1S,3R,5R,8aR)-5-(dihydroxymethyl)-3-hydroxy-5,8a-dimethyl-2-methylidene-8-oxo-1,3,4,4a-tetrahydronaphthalen-1-yl]acetate
CID 164574422
methyl (3S)-5-[(1R,3R,4aS,8aS)-3-acetyloxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoate
CID 162952810

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate (CID 123612113) is methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate is C=C1[C@H](O)C[C@H](OC(C)=O)[C@@H]1CC(=O)OC.
What is the InChIKey of methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate?
The InChIKey is LZAUZKUWNQTYIJ-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H16O5/c1-6-8(4-11(14)15-3)10(5-9(6)13)16-7(2)12/h8-10,13H,1,4-5H2,2-3H3/t8-,9-,10+/m1/s1.
What are the key properties of methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate?
methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate has a molecular weight of 228.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,3R,5S)-5-acetyloxy-3-hydroxy-2-methylidenecyclopentyl]acetate is sourced from PubChem (CID 123612113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).