4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C9H12O2 — CID 11665441

IUPAC4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCCC1=C2COCC2CC1=O
InChIInChI=1S/C9H12O2/c1-2-7-8-5-11-4-6(8)3-9(7)10/h6H,2-5H2,1H3
InChIKeyRLMXPLDCIKLZKH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.31
Rot. Bonds1

About 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11665441) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11665441
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCCC1=C2COCC2CC1=O
InChIInChI=1S/C9H12O2/c1-2-7-8-5-11-4-6(8)3-9(7)10/h6H,2-5H2,1H3
InChIKeyRLMXPLDCIKLZKH-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11665441) is 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is CCC1=C2COCC2CC1=O.
What is the InChIKey of 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is RLMXPLDCIKLZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-7-8-5-11-4-6(8)3-9(7)10/h6H,2-5H2,1H3.
What are the key properties of 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 152.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11665441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).