methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate

C10H16O4 — CID 11401383

IUPACmethyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate
SMILESC=C[C@@H]1C[C@H](CC(=O)OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H16O4/c1-3-6-4-7(5-8(11)14-2)10(13)9(6)12/h3,6-7,9-10,12-13H,1,4-5H2,2H3/t6-,7-,9+,10-/m1/s1
InChIKeyWXOYEVYRWFLMKO-GTDKDYCYSA-N
MW200.23 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate

methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate (PubChem CID 11401383) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate
PubChem CID11401383
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate
SMILESC=C[C@@H]1C[C@H](CC(=O)OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H16O4/c1-3-6-4-7(5-8(11)14-2)10(13)9(6)12/h3,6-7,9-10,12-13H,1,4-5H2,2H3/t6-,7-,9+,10-/m1/s1
InChIKeyWXOYEVYRWFLMKO-GTDKDYCYSA-N
XLogP0.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate?
The IUPAC name of methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate (CID 11401383) is methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate.
What is the SMILES notation for methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate?
The canonical SMILES for methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate is C=C[C@@H]1C[C@H](CC(=O)OC)[C@@H](O)[C@H]1O.
What is the InChIKey of methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate?
The InChIKey is WXOYEVYRWFLMKO-GTDKDYCYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-6-4-7(5-8(11)14-2)10(13)9(6)12/h3,6-7,9-10,12-13H,1,4-5H2,2H3/t6-,7-,9+,10-/m1/s1.
What are the key properties of methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate?
methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate has a molecular weight of 200.23 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R,3S,4S)-4-ethenyl-2,3-dihydroxycyclopentyl]acetate is sourced from PubChem (CID 11401383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).