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

C8H14O2 — CID 90180476

IUPAC(3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESC[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1
InChIInChI=1S/C8H14O2/c1-5-2-6-7(9)4-10-8(6)3-5/h5-9H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyOYAUHPNVUWIEEL-OOJXKGFFSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds

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

(3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (PubChem CID 90180476) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
PubChem CID90180476
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESC[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1
InChIInChI=1S/C8H14O2/c1-5-2-6-7(9)4-10-8(6)3-5/h5-9H,2-4H2,1H3/t5-,6-,7+,8-/m1/s1
InChIKeyOYAUHPNVUWIEEL-OOJXKGFFSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The IUPAC name of (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (CID 90180476) is (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.
What is the SMILES notation for (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The canonical SMILES for (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is C[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1.
What is the InChIKey of (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The InChIKey is OYAUHPNVUWIEEL-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-2-6-7(9)4-10-8(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-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
(3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,5R,6aR)-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is sourced from PubChem (CID 90180476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).