(5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one

C14H20O3 — CID 10889910

IUPAC(5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one
SMILESC[C@@H]1CC=CC(=O)[C@@]1(C)[C@@H]1C[C@H]2CCO[C@H]2O1
InChIInChI=1S/C14H20O3/c1-9-4-3-5-11(15)14(9,2)12-8-10-6-7-16-13(10)17-12/h3,5,9-10,12-13H,4,6-8H2,1-2H3/t9-,10-,12+,13+,14+/m1/s1
InChIKeyGAHHNHKRXONFFA-JHYOHUSXSA-N
MW236.31 g/mol
LogP2.31
Rot. Bonds1

About (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one

(5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one (PubChem CID 10889910) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one
PubChem CID10889910
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one
SMILESC[C@@H]1CC=CC(=O)[C@@]1(C)[C@@H]1C[C@H]2CCO[C@H]2O1
InChIInChI=1S/C14H20O3/c1-9-4-3-5-11(15)14(9,2)12-8-10-6-7-16-13(10)17-12/h3,5,9-10,12-13H,4,6-8H2,1-2H3/t9-,10-,12+,13+,14+/m1/s1
InChIKeyGAHHNHKRXONFFA-JHYOHUSXSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one (CID 10889910) is (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one is C[C@@H]1CC=CC(=O)[C@@]1(C)[C@@H]1C[C@H]2CCO[C@H]2O1.
What is the InChIKey of (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one?
The InChIKey is GAHHNHKRXONFFA-JHYOHUSXSA-N. The full InChI is InChI=1S/C14H20O3/c1-9-4-3-5-11(15)14(9,2)12-8-10-6-7-16-13(10)17-12/h3,5,9-10,12-13H,4,6-8H2,1-2H3/t9-,10-,12+,13+,14+/m1/s1.
What are the key properties of (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one?
(5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[(3aR,5S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-5,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 10889910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).