methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate

C11H16O3 — CID 135015773

IUPACmethyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
SMILESCOC(=O)[C@@]12C=C(C)O[C@]1(C)CCC2
InChIInChI=1S/C11H16O3/c1-8-7-11(9(12)13-3)6-4-5-10(11,2)14-8/h7H,4-6H2,1-3H3/t10-,11-/m1/s1
InChIKeyQCSONFGEOMWQAB-GHMZBOCLSA-N
MW196.25 g/mol
LogP2.02
Rot. Bonds1

About methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate

methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate (PubChem CID 135015773) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Namemethyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
PubChem CID135015773
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
SMILESCOC(=O)[C@@]12C=C(C)O[C@]1(C)CCC2
InChIInChI=1S/C11H16O3/c1-8-7-11(9(12)13-3)6-4-5-10(11,2)14-8/h7H,4-6H2,1-3H3/t10-,11-/m1/s1
InChIKeyQCSONFGEOMWQAB-GHMZBOCLSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate with MolForge

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Related Compounds

methyl (3aS,6aS)-6a-ethenyl-2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 135012578
methyl (3aS,6aS)-6a-but-3-enyl-2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 135039870
methyl (3aS,6aR)-6a-ethyl-2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 135040034
ethyl (1R,3aS,4R,6aR)-2-methoxy-1,3a-dimethyl-4-propan-2-yl-6a-prop-2-enyl-5,6-dihydro-4H-pentalene-1-carboxylate
CID 138979913
methyl (1S,4R)-2-methoxy-7,7-dimethylbicyclo[2.2.1]hept-2-ene-1-carboxylate
CID 146185878
methyl (3aR,6aS)-2-ethyl-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-carboxylate
CID 10856403
Methyl 2,2,6-trimethyl-9-oxabicyclo[4.2.1]non-1(8)-ene-7-carboxylate
CID 21578459

Frequently Asked Questions

What is the IUPAC name of methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate?
The IUPAC name of methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate (CID 135015773) is methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate is COC(=O)[C@@]12C=C(C)O[C@]1(C)CCC2.
What is the InChIKey of methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate?
The InChIKey is QCSONFGEOMWQAB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-7-11(9(12)13-3)6-4-5-10(11,2)14-8/h7H,4-6H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate?
methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aS,6aR)-2,6a-dimethyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 135015773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).