(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan

C7H10O — CID 12630478

IUPAC(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan
SMILESC1=C[C@H]2OCC[C@H]2C1
InChIInChI=1S/C7H10O/c1-2-6-4-5-8-7(6)3-1/h1,3,6-7H,2,4-5H2/t6-,7-/m1/s1
InChIKeyJRJPFFSJNFSDTG-RNFRBKRXSA-N
MW110.16 g/mol
LogP1.35
Rot. Bonds

About (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan

(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 12630478) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan
PubChem CID12630478
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan
SMILESC1=C[C@H]2OCC[C@H]2C1
InChIInChI=1S/C7H10O/c1-2-6-4-5-8-7(6)3-1/h1,3,6-7H,2,4-5H2/t6-,7-/m1/s1
InChIKeyJRJPFFSJNFSDTG-RNFRBKRXSA-N
XLogP1.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan with MolForge

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Related Compounds

Oxanorbornene
CID 18522099
(3aS,6aR)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan
CID 101383670
3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan
CID 12630477
2-[(1E)-3-methyl-1-butenyl]tetrahydrofuran
CID 13076955
6-Oxabicyclo[3.2.1]oct-3-ene
CID 14714356
5-Methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 18711504
5,6-Dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 20632815
5-Ethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 54142029
(1S)-2-oxabicyclo[2.2.1]hept-5-ene
CID 57115628
(5R,6S)-5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 57673597
(2R)-2-[(2R)-butan-2-yl]-2,5-dihydrofuran
CID 57792827
(2R)-2-[(2S)-butan-2-yl]-2,5-dihydrofuran
CID 58208616

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan (CID 12630478) is (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan is C1=C[C@H]2OCC[C@H]2C1.
What is the InChIKey of (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is JRJPFFSJNFSDTG-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H10O/c1-2-6-4-5-8-7(6)3-1/h1,3,6-7H,2,4-5H2/t6-,7-/m1/s1.
What are the key properties of (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan?
(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 110.16 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 12630478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).