methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate

C10H16O4 — CID 72833119

IUPACmethyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate
SMILESC=CC1CC(CC(=O)OC)C(O)C1O
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
InChIKeyWXOYEVYRWFLMKO-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate

methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate (PubChem CID 72833119) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate
PubChem CID72833119
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate
SMILESC=CC1CC(CC(=O)OC)C(O)C1O
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
InChIKeyWXOYEVYRWFLMKO-UHFFFAOYSA-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-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate?
The IUPAC name of methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate (CID 72833119) is methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate.
What is the SMILES notation for methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate?
The canonical SMILES for methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate is C=CC1CC(CC(=O)OC)C(O)C1O.
What is the InChIKey of methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate?
The InChIKey is WXOYEVYRWFLMKO-UHFFFAOYSA-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.
What are the key properties of methyl 2-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate?
methyl 2-(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-(4-ethenyl-2,3-dihydroxycyclopentyl)acetate is sourced from PubChem (CID 72833119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).