(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

C9H16O3 — CID 134964013

IUPAC(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
SMILESCCC[C@H]1OC[C@]2(O)COC[C@H]12
InChIInChI=1S/C9H16O3/c1-2-3-8-7-4-11-5-9(7,10)6-12-8/h7-8,10H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyVITAFZWXNFMSFD-IWSPIJDZSA-N
MW172.22 g/mol
LogP0.56
Rot. Bonds2

About (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol

(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol (PubChem CID 134964013) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol.

Molecular Properties

Compound Name(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
PubChem CID134964013
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
SMILESCCC[C@H]1OC[C@]2(O)COC[C@H]12
InChIInChI=1S/C9H16O3/c1-2-3-8-7-4-11-5-9(7,10)6-12-8/h7-8,10H,2-6H2,1H3/t7-,8-,9-/m1/s1
InChIKeyVITAFZWXNFMSFD-IWSPIJDZSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,4R,6aS)-3-propyl-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-4,6a-diol
CID 44220844
(3S,3aS,6R,6aS)-3,6-diethyl-2,3a,5,6a-tetrahydrofuro[3,2-b]furan-3,6-diol
CID 13751055
(3R,3aR,6S,6aS)-6-propan-2-yl-6-propan-2-yloxy-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-ol
CID 16049569
(3R,3aR,6S,6aS)-6-(2-methylpropoxy)-6-(2-methylpropyl)-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan-3-ol
CID 18602348
3-Tert-butyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 20793012
(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol
CID 25184212
5-Ethyl-2,3,4,5-tetramethyloxolan-3-ol
CID 57617213
1-[(1R,3S,4R,7S)-3-ethyl-7-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]ethanol
CID 58049057
(3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58165022
(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58192751
(3R,3aR,6R,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58192761
6-Propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58801227

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol?
The IUPAC name of (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol (CID 134964013) is (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol.
What is the SMILES notation for (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol?
The canonical SMILES for (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol is CCC[C@H]1OC[C@]2(O)COC[C@H]12.
What is the InChIKey of (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol?
The InChIKey is VITAFZWXNFMSFD-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-3-8-7-4-11-5-9(7,10)6-12-8/h7-8,10H,2-6H2,1H3/t7-,8-,9-/m1/s1.
What are the key properties of (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol?
(3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol has a molecular weight of 172.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-6-propyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol is sourced from PubChem (CID 134964013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).