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

C9H16O2 — CID 59227566

IUPAC[(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol
SMILESC[C@@H]1C[C@@H]2OCC[C@@H]2[C@H]1CO
InChIInChI=1S/C9H16O2/c1-6-4-9-7(2-3-11-9)8(6)5-10/h6-10H,2-5H2,1H3/t6-,7-,8+,9+/m1/s1
InChIKeyGTEVVXURZPQDIF-HXFLIBJXSA-N
MW156.22 g/mol
LogP1.04
Rot. Bonds1

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

[(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol (PubChem CID 59227566) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol
PubChem CID59227566
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol
SMILESC[C@@H]1C[C@@H]2OCC[C@@H]2[C@H]1CO
InChIInChI=1S/C9H16O2/c1-6-4-9-7(2-3-11-9)8(6)5-10/h6-10H,2-5H2,1H3/t6-,7-,8+,9+/m1/s1
InChIKeyGTEVVXURZPQDIF-HXFLIBJXSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol?
The IUPAC name of [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol (CID 59227566) is [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol.
What is the SMILES notation for [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol?
The canonical SMILES for [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol is C[C@@H]1C[C@@H]2OCC[C@@H]2[C@H]1CO.
What is the InChIKey of [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol?
The InChIKey is GTEVVXURZPQDIF-HXFLIBJXSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-4-9-7(2-3-11-9)8(6)5-10/h6-10H,2-5H2,1H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol?
[(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,5R,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]methanol is sourced from PubChem (CID 59227566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).