3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

C10H18O3 — CID 144962164

IUPAC3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCCOC1OCC2C(OC)CCC12
InChIInChI=1S/C10H18O3/c1-3-12-10-7-4-5-9(11-2)8(7)6-13-10/h7-10H,3-6H2,1-2H3
InChIKeyKAZRYDAMTIRUOO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.42
Rot. Bonds3

About 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan

3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 144962164) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID144962164
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCCOC1OCC2C(OC)CCC12
InChIInChI=1S/C10H18O3/c1-3-12-10-7-4-5-9(11-2)8(7)6-13-10/h7-10H,3-6H2,1-2H3
InChIKeyKAZRYDAMTIRUOO-UHFFFAOYSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 144962164) is 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is CCOC1OCC2C(OC)CCC12.
What is the InChIKey of 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is KAZRYDAMTIRUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-12-10-7-4-5-9(11-2)8(7)6-13-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 186.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 144962164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).