(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C10H14O2 — CID 102593775

IUPAC(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=CC[C@H]1CC[C@@H]2CC(=O)O[C@@H]21
InChIInChI=1S/C10H14O2/c1-2-3-7-4-5-8-6-9(11)12-10(7)8/h2,7-8,10H,1,3-6H2/t7-,8+,10+/m0/s1
InChIKeyCJBPYISMJDSBDV-QXFUBDJGSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds2

About (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 102593775) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID102593775
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=CC[C@H]1CC[C@@H]2CC(=O)O[C@@H]21
InChIInChI=1S/C10H14O2/c1-2-3-7-4-5-8-6-9(11)12-10(7)8/h2,7-8,10H,1,3-6H2/t7-,8+,10+/m0/s1
InChIKeyCJBPYISMJDSBDV-QXFUBDJGSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 102593775) is (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C=CC[C@H]1CC[C@@H]2CC(=O)O[C@@H]21.
What is the InChIKey of (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is CJBPYISMJDSBDV-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-3-7-4-5-8-6-9(11)12-10(7)8/h2,7-8,10H,1,3-6H2/t7-,8+,10+/m0/s1.
What are the key properties of (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-prop-2-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 102593775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).