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

C8H14O3 — CID 89392966

IUPAC(3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESCO[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1
InChIInChI=1S/C8H14O3/c1-10-5-2-6-7(9)4-11-8(6)3-5/h5-9H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyKWGKCNHDQUHQKO-OOJXKGFFSA-N
MW158.20 g/mol
LogP0.17
Rot. Bonds1

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

(3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (PubChem CID 89392966) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
PubChem CID89392966
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESCO[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1
InChIInChI=1S/C8H14O3/c1-10-5-2-6-7(9)4-11-8(6)3-5/h5-9H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyKWGKCNHDQUHQKO-OOJXKGFFSA-N
XLogP0.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 11849279
3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 72421246
(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
(3aR,4S,5S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 134888901
(5R,6aR)-5-(hydroxymethyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 134974476
(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
(3AR,4S,6aR)-4-(2-hydroxyethyl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 126455451
(3aR,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 9548655
4-(1,2-Dimethoxyethyl)-2,3-dimethoxycyclopentan-1-ol
CID 22983114

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The IUPAC name of (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (CID 89392966) is (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.
What is the SMILES notation for (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The canonical SMILES for (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is CO[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1.
What is the InChIKey of (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The InChIKey is KWGKCNHDQUHQKO-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-5-2-6-7(9)4-11-8(6)3-5/h5-9H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1.
What are the key properties of (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
(3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,5R,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is sourced from PubChem (CID 89392966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).