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

C8H14O2 — CID 167054957

IUPAC(3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCOC1C[C@H]2COC[C@@H]2C1
InChIInChI=1S/C8H14O2/c1-9-8-2-6-4-10-5-7(6)3-8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyCMWRIQKXFXQYOK-BQBZGAKWSA-N
MW142.20 g/mol
LogP1.06
Rot. Bonds1

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

(3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 167054957) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name(3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID167054957
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESCOC1C[C@H]2COC[C@@H]2C1
InChIInChI=1S/C8H14O2/c1-9-8-2-6-4-10-5-7(6)3-8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyCMWRIQKXFXQYOK-BQBZGAKWSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 167054957) is (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is COC1C[C@H]2COC[C@@H]2C1.
What is the InChIKey of (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is CMWRIQKXFXQYOK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-8-2-6-4-10-5-7(6)3-8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
(3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 142.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 167054957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).