(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol

C9H16O3 — CID 158856895

IUPAC(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESCOC1C[C@@H]2[C@H](O1)[C@H](O)C[C@H]2C
InChIInChI=1S/C9H16O3/c1-5-3-7(10)9-6(5)4-8(11-2)12-9/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8?,9+/m1/s1
InChIKeySFPTWUXOFUIZDB-CUZWNJLLSA-N
MW172.22 g/mol
LogP0.76
Rot. Bonds1

About (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol

(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (PubChem CID 158856895) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.

Molecular Properties

Compound Name(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
PubChem CID158856895
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESCOC1C[C@@H]2[C@H](O1)[C@H](O)C[C@H]2C
InChIInChI=1S/C9H16O3/c1-5-3-7(10)9-6(5)4-8(11-2)12-9/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8?,9+/m1/s1
InChIKeySFPTWUXOFUIZDB-CUZWNJLLSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-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

(3aS,4R,6R,6aR)-2-methoxy-4,6-dimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan;(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol;deuterioethane
CID 163762058
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2R,3aR,6aS)-2-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4,5-diol
CID 10511417
6-methoxy-2,4-dimethyloxan-3-ol
CID 58831559
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The IUPAC name of (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (CID 158856895) is (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.
What is the SMILES notation for (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The canonical SMILES for (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is COC1C[C@@H]2[C@H](O1)[C@H](O)C[C@H]2C.
What is the InChIKey of (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The InChIKey is SFPTWUXOFUIZDB-CUZWNJLLSA-N. The full InChI is InChI=1S/C9H16O3/c1-5-3-7(10)9-6(5)4-8(11-2)12-9/h5-10H,3-4H2,1-2H3/t5-,6+,7-,8?,9+/m1/s1.
What are the key properties of (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
(3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol has a molecular weight of 172.22 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6R,6aS)-2-methoxy-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is sourced from PubChem (CID 158856895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).