(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one

C11H18O4 — CID 132550320

IUPAC(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one
SMILESCC(C)[C@@]1(O)O[C@@H]2CC(=O)O[C@@H]2C1(C)C
InChIInChI=1S/C11H18O4/c1-6(2)11(13)10(3,4)9-7(15-11)5-8(12)14-9/h6-7,9,13H,5H2,1-4H3/t7-,9+,11-/m1/s1
InChIKeySBFNYGJNDWXKRW-POZPLHJXSA-N
MW214.26 g/mol
LogP1.07
Rot. Bonds1

About (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one

(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one (PubChem CID 132550320) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one.

Molecular Properties

Compound Name(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one
PubChem CID132550320
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one
SMILESCC(C)[C@@]1(O)O[C@@H]2CC(=O)O[C@@H]2C1(C)C
InChIInChI=1S/C11H18O4/c1-6(2)11(13)10(3,4)9-7(15-11)5-8(12)14-9/h6-7,9,13H,5H2,1-4H3/t7-,9+,11-/m1/s1
InChIKeySBFNYGJNDWXKRW-POZPLHJXSA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one with MolForge

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Related Compounds

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CID 11117912
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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one?
The IUPAC name of (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one (CID 132550320) is (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one.
What is the SMILES notation for (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one?
The canonical SMILES for (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one is CC(C)[C@@]1(O)O[C@@H]2CC(=O)O[C@@H]2C1(C)C.
What is the InChIKey of (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one?
The InChIKey is SBFNYGJNDWXKRW-POZPLHJXSA-N. The full InChI is InChI=1S/C11H18O4/c1-6(2)11(13)10(3,4)9-7(15-11)5-8(12)14-9/h6-7,9,13H,5H2,1-4H3/t7-,9+,11-/m1/s1.
What are the key properties of (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one?
(3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6aR)-5-hydroxy-6,6-dimethyl-5-propan-2-yl-3a,6a-dihydro-3H-furo[3,2-b]furan-2-one is sourced from PubChem (CID 132550320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).