[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate

C10H18O5 — CID 11830916

IUPAC[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@@H](OC(C)=O)C1(C)C
InChIInChI=1S/C10H18O5/c1-5(11)15-9-7(13)6(12)8(14-4)10(9,2)3/h6-9,12-13H,1-4H3/t6-,7+,8+,9-/m1/s1
InChIKeyLKXXLCNJVMQNSA-RYPBNFRJSA-N
MW218.25 g/mol
LogP-0.31
Rot. Bonds2

About [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate

[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate (PubChem CID 11830916) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate
PubChem CID11830916
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@@H](OC(C)=O)C1(C)C
InChIInChI=1S/C10H18O5/c1-5(11)15-9-7(13)6(12)8(14-4)10(9,2)3/h6-9,12-13H,1-4H3/t6-,7+,8+,9-/m1/s1
InChIKeyLKXXLCNJVMQNSA-RYPBNFRJSA-N
XLogP-0.31
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol
CID 100924891
[(1S,4R)-4-hydroxy-5,5-dimethylcyclopent-2-en-1-yl] acetate
CID 11095055
(2,3,4,5,6-pentahydroxycyclohexyl) acetate
CID 19814832
tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate
CID 139889585
(2-amino-4,4-dimethylcyclopentyl) acetate
CID 174313858
[(1S,2S,5S,6S)-6-acetyloxy-2,5-dibromo-6-methylcyclohex-3-en-1-yl] acetate
CID 11588759
[(2S,3R,4R)-4,5-diacetyloxy-2,4-dimethyloxolan-3-yl] acetate
CID 101385511
[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate
CID 11482550
(4-methyl-9-pentacyclo[4.3.0.02,4.03,8.05,7]nonanyl) acetate
CID 131855065
[(4S,5R,7R,8R)-4,5,7,8-tetraacetyloxy-1-oxaspiro[2.5]octan-6-yl] acetate
CID 92537479
[(1R,2S,6S,7S,8R,9R)-8-methoxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] acetate
CID 44573194
[(1R,2S,6S,7S,8R,9R)-8-hydroxy-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[7.3.0.02,6]dodecan-7-yl] acetate
CID 101244227

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate?
The IUPAC name of [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate (CID 11830916) is [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate.
What is the SMILES notation for [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate?
The canonical SMILES for [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate is CO[C@H]1[C@H](O)[C@H](O)[C@@H](OC(C)=O)C1(C)C.
What is the InChIKey of [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate?
The InChIKey is LKXXLCNJVMQNSA-RYPBNFRJSA-N. The full InChI is InChI=1S/C10H18O5/c1-5(11)15-9-7(13)6(12)8(14-4)10(9,2)3/h6-9,12-13H,1-4H3/t6-,7+,8+,9-/m1/s1.
What are the key properties of [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate?
[(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate has a molecular weight of 218.25 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R,5S)-4,5-dihydroxy-3-methoxy-2,2-dimethylcyclopentyl] acetate is sourced from PubChem (CID 11830916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).