(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C9H16O3 — CID 169116609

IUPAC(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(C)C1CO[C@@H]2C(O)CO[C@H]12
InChIInChI=1S/C9H16O3/c1-5(2)6-3-11-9-7(10)4-12-8(6)9/h5-10H,3-4H2,1-2H3/t6?,7?,8-,9-/m1/s1
InChIKeyHJQFEPFZOAKKCJ-GEPGNKONSA-N
MW172.22 g/mol
LogP0.42
Rot. Bonds1

About (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 169116609) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID169116609
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCC(C)C1CO[C@@H]2C(O)CO[C@H]12
InChIInChI=1S/C9H16O3/c1-5(2)6-3-11-9-7(10)4-12-8(6)9/h5-10H,3-4H2,1-2H3/t6?,7?,8-,9-/m1/s1
InChIKeyHJQFEPFZOAKKCJ-GEPGNKONSA-N
XLogP0.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 169116609) is (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is CC(C)C1CO[C@@H]2C(O)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is HJQFEPFZOAKKCJ-GEPGNKONSA-N. The full InChI is InChI=1S/C9H16O3/c1-5(2)6-3-11-9-7(10)4-12-8(6)9/h5-10H,3-4H2,1-2H3/t6?,7?,8-,9-/m1/s1.
What are the key properties of (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 172.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 169116609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).