(3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol

C14H24O4 — CID 164674973

IUPAC(3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESCCOC1C[C@@H]2[C@@H](CCC3(O)CC3)[C@@H](O)C[C@@H]2O1
InChIInChI=1S/C14H24O4/c1-2-17-13-7-10-9(3-4-14(16)5-6-14)11(15)8-12(10)18-13/h9-13,15-16H,2-8H2,1H3/t9-,10-,11+,12+,13?/m1/s1
InChIKeyFWZRBECZKYSBSS-BWOQGFTMSA-N
MW256.34 g/mol
LogP1.44
Rot. Bonds5

About (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol

(3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (PubChem CID 164674973) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.

Molecular Properties

Compound Name(3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
PubChem CID164674973
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
SMILESCCOC1C[C@@H]2[C@@H](CCC3(O)CC3)[C@@H](O)C[C@@H]2O1
InChIInChI=1S/C14H24O4/c1-2-17-13-7-10-9(3-4-14(16)5-6-14)11(15)8-12(10)18-13/h9-13,15-16H,2-8H2,1H3/t9-,10-,11+,12+,13?/m1/s1
InChIKeyFWZRBECZKYSBSS-BWOQGFTMSA-N
XLogP1.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol with MolForge

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Related Compounds

(1S,4S,5R,6S,7R,9S,11S)-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5,6-triol
CID 14413755
(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
CID 102153621
(3aR,4R,5R,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-ol
CID 15222226
(4R)-4-(4-fluoro-3-hydroxyoctyl)-5-phosphanyloxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59963474
(2R,5R,6aS)-4-(4,4-difluoro-3-hydroxy-7-methyloctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 67577011
4-(4,4-difluoro-3-hydroxy-7-methyloctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 77317010
(2R,4R)-4-[(3S)-4,4-difluoro-3-hydroxyoctyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 89691788
4-(4,4-difluoro-3-hydroxyoctyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 142632625
(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol
CID 134970804
(3aR,4R,5R,6aS)-4-(dimethoxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 134998392
(3aR,4S,6aS)-5-tert-butyl-4-(2,2-dimethoxyethyl)-3a,4-bis(hydroxymethyl)-2-methoxy-2,3,6,6a-tetrahydrocyclopenta[b]furan-5-ol
CID 154707133
1-[2-[(3aR,4R,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethoxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]ethyl]cyclopropan-1-ol
CID 164674792

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The IUPAC name of (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol (CID 164674973) is (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol.
What is the SMILES notation for (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The canonical SMILES for (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is CCOC1C[C@@H]2[C@@H](CCC3(O)CC3)[C@@H](O)C[C@@H]2O1.
What is the InChIKey of (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
The InChIKey is FWZRBECZKYSBSS-BWOQGFTMSA-N. The full InChI is InChI=1S/C14H24O4/c1-2-17-13-7-10-9(3-4-14(16)5-6-14)11(15)8-12(10)18-13/h9-13,15-16H,2-8H2,1H3/t9-,10-,11+,12+,13?/m1/s1.
What are the key properties of (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol?
(3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol has a molecular weight of 256.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5S,6aS)-2-ethoxy-4-[2-(1-hydroxycyclopropyl)ethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol is sourced from PubChem (CID 164674973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).