3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone

C8H10O2 — CID 141083508

IUPAC3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone
SMILESO=C=C1CC2CCCC2O1
InChIInChI=1S/C8H10O2/c9-5-7-4-6-2-1-3-8(6)10-7/h6,8H,1-4H2
InChIKeyMCKOEUCMUZQQCH-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone

3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone (PubChem CID 141083508) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone
PubChem CID141083508
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone
SMILESO=C=C1CC2CCCC2O1
InChIInChI=1S/C8H10O2/c9-5-7-4-6-2-1-3-8(6)10-7/h6,8H,1-4H2
InChIKeyMCKOEUCMUZQQCH-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone (CID 141083508) is 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone is O=C=C1CC2CCCC2O1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone?
The InChIKey is MCKOEUCMUZQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-5-7-4-6-2-1-3-8(6)10-7/h6,8H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone?
3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone has a molecular weight of 138.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidenemethanone is sourced from PubChem (CID 141083508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).