methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate

C10H14O3 — CID 10631269

IUPACmethyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H]2C=CC[C@@H]2O1
InChIInChI=1S/C10H14O3/c1-12-10(11)6-8-5-7-3-2-4-9(7)13-8/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeySZMZBZLMTUHYCG-YIZRAAEISA-N
MW182.22 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate

methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate (PubChem CID 10631269) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate
PubChem CID10631269
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namemethyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@@H]2C=CC[C@@H]2O1
InChIInChI=1S/C10H14O3/c1-12-10(11)6-8-5-7-3-2-4-9(7)13-8/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m0/s1
InChIKeySZMZBZLMTUHYCG-YIZRAAEISA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate (CID 10631269) is methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate is COC(=O)C[C@H]1C[C@@H]2C=CC[C@@H]2O1.
What is the InChIKey of methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate?
The InChIKey is SZMZBZLMTUHYCG-YIZRAAEISA-N. The full InChI is InChI=1S/C10H14O3/c1-12-10(11)6-8-5-7-3-2-4-9(7)13-8/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate?
methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate has a molecular weight of 182.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]acetate is sourced from PubChem (CID 10631269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).