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

C7H10O — CID 59420042

IUPAC3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan
SMILESC1=C2COCC2CC1
InChIInChI=1S/C7H10O/c1-2-6-4-8-5-7(6)3-1/h2,7H,1,3-5H2
InChIKeyGPDMUYQWLRWTQW-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.35
Rot. Bonds

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

3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 59420042) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan
PubChem CID59420042
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan
SMILESC1=C2COCC2CC1
InChIInChI=1S/C7H10O/c1-2-6-4-8-5-7(6)3-1/h2,7H,1,3-5H2
InChIKeyGPDMUYQWLRWTQW-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan (CID 59420042) is 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan is C1=C2COCC2CC1.
What is the InChIKey of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is GPDMUYQWLRWTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-6-4-8-5-7(6)3-1/h2,7H,1,3-5H2.
What are the key properties of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan?
3,5,6,6a-tetrahydro-1H-cyclopenta[c]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 3,5,6,6a-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 59420042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).