1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone

C10H16O3 — CID 69012603

IUPAC1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone
SMILESCOC12CCCC1(C(C)=O)CCO2
InChIInChI=1S/C10H16O3/c1-8(11)9-4-3-5-10(9,12-2)13-7-6-9/h3-7H2,1-2H3
InChIKeyOKMGXIHRGPBMIL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds2

About 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone

1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone (PubChem CID 69012603) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone.

Molecular Properties

Compound Name1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone
PubChem CID69012603
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone
SMILESCOC12CCCC1(C(C)=O)CCO2
InChIInChI=1S/C10H16O3/c1-8(11)9-4-3-5-10(9,12-2)13-7-6-9/h3-7H2,1-2H3
InChIKeyOKMGXIHRGPBMIL-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone?
The IUPAC name of 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone (CID 69012603) is 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone.
What is the SMILES notation for 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone?
The canonical SMILES for 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone is COC12CCCC1(C(C)=O)CCO2.
What is the InChIKey of 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone?
The InChIKey is OKMGXIHRGPBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8(11)9-4-3-5-10(9,12-2)13-7-6-9/h3-7H2,1-2H3.
What are the key properties of 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone?
1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone has a molecular weight of 184.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)ethanone is sourced from PubChem (CID 69012603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).