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

C9H16O3 — CID 10464766

IUPAC(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol
SMILESCO[C@@H]1CC[C@H]2O[C@@](C)(O)C[C@@H]12
InChIInChI=1S/C9H16O3/c1-9(10)5-6-7(11-2)3-4-8(6)12-9/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChIKeyFDSHSJXOSPLQMC-JQCXWYLXSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds1

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

(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol (PubChem CID 10464766) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol
PubChem CID10464766
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol
SMILESCO[C@@H]1CC[C@H]2O[C@@](C)(O)C[C@@H]12
InChIInChI=1S/C9H16O3/c1-9(10)5-6-7(11-2)3-4-8(6)12-9/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChIKeyFDSHSJXOSPLQMC-JQCXWYLXSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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CID 11346997
(4S,4aR,8aR)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydrochromen-4-ol
CID 13328681
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CID 89278867
7-methoxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran
CID 142607560
(3S,6R)-6-methoxy-3-methyldioxan-3-ol
CID 119098312
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
CID 130972133
(3aR,4S,6aR)-4-methoxy-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 171921114
(1R,2S,3S,4R,7R,9R,10R,11S,12S,13R,14S,15S,18S,20R,21S,22S)-9,20-dimethoxy-8,19-dioxaoctacyclo[10.10.0.02,10.03,7.04,22.011,15.013,21.014,18]docosane-10,21-diol
CID 98556867
4-methoxycyclohexane-1,2,3-triol
CID 54277163
(4aR,5S,8R,8aS)-5-hydroxy-8-methoxy-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one
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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol?
The IUPAC name of (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol (CID 10464766) is (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol.
What is the SMILES notation for (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol?
The canonical SMILES for (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol is CO[C@@H]1CC[C@H]2O[C@@](C)(O)C[C@@H]12.
What is the InChIKey of (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol?
The InChIKey is FDSHSJXOSPLQMC-JQCXWYLXSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(10)5-6-7(11-2)3-4-8(6)12-9/h6-8,10H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1.
What are the key properties of (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol?
(2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,4R,6aR)-4-methoxy-2-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ol is sourced from PubChem (CID 10464766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).