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

C7H12O — CID 15360282

IUPAC(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESC1C[C@@H]2COC[C@@H]2C1
InChIInChI=1S/C7H12O/c1-2-6-4-8-5-7(6)3-1/h6-7H,1-5H2/t6-,7+
InChIKeySPZXGRZMQWESTC-KNVOCYPGSA-N
MW112.17 g/mol
LogP1.43
Rot. Bonds

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

(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 15360282) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID15360282
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESC1C[C@@H]2COC[C@@H]2C1
InChIInChI=1S/C7H12O/c1-2-6-4-8-5-7(6)3-1/h6-7H,1-5H2/t6-,7+
InChIKeySPZXGRZMQWESTC-KNVOCYPGSA-N
XLogP1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan with MolForge

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Related Compounds

3-Oxabicyclo[3.3.0]octane
CID 10920475
Oxabicyclo(3,3,0)octan
CID 14039396
trans-2-Oxabicyclo[3.3.0]octane
CID 21595350
6a-Methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 67559087
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 14039397
CID 57870993
CID 57870993
5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 59346792
(6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 66601709
(6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 70574790
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 88977594
4-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 89027502
(6aS)-6a-methyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 89226718

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 15360282) is (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is C1C[C@@H]2COC[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is SPZXGRZMQWESTC-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6-4-8-5-7(6)3-1/h6-7H,1-5H2/t6-,7+.
What are the key properties of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan has a molecular weight of 112.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 15360282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).