(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol

C10H18O2 — CID 10535161

IUPAC(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
SMILESCC[C@@H]1O[C@H](C)[C@]2(O)CCC[C@H]12
InChIInChI=1S/C10H18O2/c1-3-9-8-5-4-6-10(8,11)7(2)12-9/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1
InChIKeyZMNVIUOJFNBDFK-DOLQZWNJSA-N
MW170.25 g/mol
LogP1.71
Rot. Bonds1

About (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol

(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol (PubChem CID 10535161) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol.

Molecular Properties

Compound Name(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
PubChem CID10535161
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
SMILESCC[C@@H]1O[C@H](C)[C@]2(O)CCC[C@H]12
InChIInChI=1S/C10H18O2/c1-3-9-8-5-4-6-10(8,11)7(2)12-9/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1
InChIKeyZMNVIUOJFNBDFK-DOLQZWNJSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
The IUPAC name of (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol (CID 10535161) is (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol.
What is the SMILES notation for (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
The canonical SMILES for (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol is CC[C@@H]1O[C@H](C)[C@]2(O)CCC[C@H]12.
What is the InChIKey of (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
The InChIKey is ZMNVIUOJFNBDFK-DOLQZWNJSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9-8-5-4-6-10(8,11)7(2)12-9/h7-9,11H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
(1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol has a molecular weight of 170.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,3aR,6aS)-3-ethyl-1-methyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol is sourced from PubChem (CID 10535161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).