methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate

C10H16O4 — CID 14293107

IUPACmethyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate
SMILESCOC(=O)CC1CCC2OC(O)CC12
InChIInChI=1S/C10H16O4/c1-13-9(11)4-6-2-3-8-7(6)5-10(12)14-8/h6-8,10,12H,2-5H2,1H3
InChIKeyFYLPZDBVUOJIDM-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.68
Rot. Bonds2

About methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate

methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate (PubChem CID 14293107) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate
PubChem CID14293107
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate
SMILESCOC(=O)CC1CCC2OC(O)CC12
InChIInChI=1S/C10H16O4/c1-13-9(11)4-6-2-3-8-7(6)5-10(12)14-8/h6-8,10,12H,2-5H2,1H3
InChIKeyFYLPZDBVUOJIDM-UHFFFAOYSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate?
The IUPAC name of methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate (CID 14293107) is methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate?
The canonical SMILES for methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate is COC(=O)CC1CCC2OC(O)CC12.
What is the InChIKey of methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate?
The InChIKey is FYLPZDBVUOJIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-13-9(11)4-6-2-3-8-7(6)5-10(12)14-8/h6-8,10,12H,2-5H2,1H3.
What are the key properties of methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate?
methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate has a molecular weight of 200.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl)acetate is sourced from PubChem (CID 14293107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).