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

C7H12O — CID 10920475

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESC1CC2COCC2C1
InChIInChI=1S/C7H12O/c1-2-6-4-8-5-7(6)3-1/h6-7H,1-5H2
InChIKeySPZXGRZMQWESTC-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.43
Rot. Bonds

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (PubChem CID 10920475) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
PubChem CID10920475
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
SMILESC1CC2COCC2C1
InChIInChI=1S/C7H12O/c1-2-6-4-8-5-7(6)3-1/h6-7H,1-5H2
InChIKeySPZXGRZMQWESTC-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan (CID 10920475) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is C1CC2COCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
The InChIKey is SPZXGRZMQWESTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-2-6-4-8-5-7(6)3-1/h6-7H,1-5H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan?
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 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 10920475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).