(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol

C8H14O3 — CID 58231574

IUPAC(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
SMILESC[C@H]1C[C@@]2(O)CC[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H14O3/c1-5-4-8(10)3-2-6(9)7(8)11-5/h5-7,9-10H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyDDFLJKUOMOYZRO-OSMVPFSASA-N
MW158.20 g/mol
LogP0.05
Rot. Bonds

About (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol

(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol (PubChem CID 58231574) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol.

Molecular Properties

Compound Name(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
PubChem CID58231574
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
SMILESC[C@H]1C[C@@]2(O)CC[C@@H](O)[C@H]2O1
InChIInChI=1S/C8H14O3/c1-5-4-8(10)3-2-6(9)7(8)11-5/h5-7,9-10H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyDDFLJKUOMOYZRO-OSMVPFSASA-N
XLogP0.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol with MolForge

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Related Compounds

Heliconol A
CID 11845120
Heliconol B
CID 11845122
(3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
CID 134857231
(2S,3aS,6R,6aR)-4-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231555
(2S,3S,3aR,6R,6aR)-3-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231575
(2S,3R,3aR,6R,6aR)-3-fluoro-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 58231578
(5S,9R)-1-oxaspiro[4.4]nonan-9-ol
CID 10678352
(5S,9S)-1-oxaspiro[4.4]nonan-9-ol
CID 10820630
(2R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol
CID 45114003
(2R,3R,3aS,6R,6aR)-2-methoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3,3a,6-triol
CID 102174495
(3aS,4S,6S,6aR)-6-(2-hydroxyethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 10262245
(3S,3aR,6aS)-3-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ol
CID 101708072

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The IUPAC name of (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol (CID 58231574) is (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol.
What is the SMILES notation for (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The canonical SMILES for (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol is C[C@H]1C[C@@]2(O)CC[C@@H](O)[C@H]2O1.
What is the InChIKey of (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
The InChIKey is DDFLJKUOMOYZRO-OSMVPFSASA-N. The full InChI is InChI=1S/C8H14O3/c1-5-4-8(10)3-2-6(9)7(8)11-5/h5-7,9-10H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol?
(2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol has a molecular weight of 158.20 g/mol, XLogP of 0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6R,6aR)-2-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a,6-diol is sourced from PubChem (CID 58231574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).