(6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C8H14O2 — CID 118198436

IUPAC(6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCOC1CO[C@H]2CCCC12
InChIInChI=1S/C8H14O2/c1-9-8-5-10-7-4-2-3-6(7)8/h6-8H,2-5H2,1H3/t6?,7-,8?/m0/s1
InChIKeyJZLQGDZKNFKTCX-WTIBDHCWSA-N
MW142.20 g/mol
LogP1.20
Rot. Bonds1

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

(6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 118198436) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID118198436
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCOC1CO[C@H]2CCCC12
InChIInChI=1S/C8H14O2/c1-9-8-5-10-7-4-2-3-6(7)8/h6-8H,2-5H2,1H3/t6?,7-,8?/m0/s1
InChIKeyJZLQGDZKNFKTCX-WTIBDHCWSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

Oxabicyclo(3,3,0)octan
CID 14039396
trans-2-Oxabicyclo[3.3.0]octane
CID 21595350
(3R,3aR,6R,6aS)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170368538
(3S,3aS,6R,6aR)-3-ethyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170419213
(3aR,5R,6S,6aR)-5-methyl-6-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 178417007
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039397
3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039400
Hexahydro-2H-cyclopenta[b]furan-3-ol
CID 14148356
4-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14383865
3-Methyl-6-octyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 20758292
(3S,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21595351
(3R,3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
CID 21796761

Frequently Asked Questions

What is the IUPAC name of (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 118198436) is (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is COC1CO[C@H]2CCCC12.
What is the InChIKey of (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is JZLQGDZKNFKTCX-WTIBDHCWSA-N. The full InChI is InChI=1S/C8H14O2/c1-9-8-5-10-7-4-2-3-6(7)8/h6-8H,2-5H2,1H3/t6?,7-,8?/m0/s1.
What are the key properties of (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 142.20 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-3-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 118198436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).