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

C11H18O4 — CID 10998376

IUPACmethyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@H]2OC(OC)C[C@@H]12
InChIInChI=1S/C11H18O4/c1-13-10(12)5-7-3-4-9-8(7)6-11(14-2)15-9/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-,11?/m1/s1
InChIKeyOHCZFXKHTIDRCN-OCKNEMTGSA-N
MW214.26 g/mol
LogP1.34
Rot. Bonds3

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

methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate (PubChem CID 10998376) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate
PubChem CID10998376
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate
SMILESCOC(=O)C[C@H]1CC[C@H]2OC(OC)C[C@@H]12
InChIInChI=1S/C11H18O4/c1-13-10(12)5-7-3-4-9-8(7)6-11(14-2)15-9/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-,11?/m1/s1
InChIKeyOHCZFXKHTIDRCN-OCKNEMTGSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate?
The IUPAC name of methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate (CID 10998376) is methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate?
The canonical SMILES for methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate is COC(=O)C[C@H]1CC[C@H]2OC(OC)C[C@@H]12.
What is the InChIKey of methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate?
The InChIKey is OHCZFXKHTIDRCN-OCKNEMTGSA-N. The full InChI is InChI=1S/C11H18O4/c1-13-10(12)5-7-3-4-9-8(7)6-11(14-2)15-9/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-,11?/m1/s1.
What are the key properties of methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate?
methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate has a molecular weight of 214.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3aS,4R,6aR)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetate is sourced from PubChem (CID 10998376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).