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

C10H18O2 — CID 58620307

IUPAC(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC[C@H]1[C@@H]2CC(O)O[C@@H]2C[C@@H]1C
InChIInChI=1S/C10H18O2/c1-3-7-6(2)4-9-8(7)5-10(11)12-9/h6-11H,3-5H2,1-2H3/t6-,7+,8-,9+,10?/m0/s1
InChIKeyHOVVZVXVJYEUIJ-FLZHQEHWSA-N
MW170.25 g/mol
LogP1.78
Rot. Bonds1

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

(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 58620307) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID58620307
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC[C@H]1[C@@H]2CC(O)O[C@@H]2C[C@@H]1C
InChIInChI=1S/C10H18O2/c1-3-7-6(2)4-9-8(7)5-10(11)12-9/h6-11H,3-5H2,1-2H3/t6-,7+,8-,9+,10?/m0/s1
InChIKeyHOVVZVXVJYEUIJ-FLZHQEHWSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3aR,4R,5R,6aS)-4-[(3R,4R)-4-fluoro-3-(oxan-2-yloxy)octyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 54231421
(3aR,4R,5R,6aS)-4-[(3S,4R)-4-fluoro-3-(oxan-2-yloxy)octyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 56608993
(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59065317
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 59956913
(3aR,4S)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 71248644
(3aR,4S,6aS)-4-(4,4-difluoro-3-hydroxyoctyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 89952406
2,4,4,5-tetramethyl-3,3a,5,6-tetrahydro-2H-cyclopenta[b]furan-6a-ol
CID 59012669
(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
CID 134878043
(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol
CID 134970804
4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 22951157
(1R,3aS,5R,6aR)-5-(2-methoxyethoxymethoxy)-1-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
CID 10267037
4-decyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,5-diol
CID 18426916

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 58620307) is (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CC[C@H]1[C@@H]2CC(O)O[C@@H]2C[C@@H]1C.
What is the InChIKey of (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is HOVVZVXVJYEUIJ-FLZHQEHWSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-6(2)4-9-8(7)5-10(11)12-9/h6-11H,3-5H2,1-2H3/t6-,7+,8-,9+,10?/m0/s1.
What are the key properties of (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
(3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 58620307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).