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

C8H14O2 — CID 118288196

IUPAC(3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESCC1CO[C@@H]2[C@H](O)CC[C@H]12
InChIInChI=1S/C8H14O2/c1-5-4-10-8-6(5)2-3-7(8)9/h5-9H,2-4H2,1H3/t5?,6-,7-,8+/m1/s1
InChIKeyVYFXZBVUDWPZLD-IDWMTUBTSA-N
MW142.20 g/mol
LogP0.79
Rot. Bonds

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

(3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (PubChem CID 118288196) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.

Molecular Properties

Compound Name(3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
PubChem CID118288196
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol
SMILESCC1CO[C@@H]2[C@H](O)CC[C@H]12
InChIInChI=1S/C8H14O2/c1-5-4-10-8-6(5)2-3-7(8)9/h5-9H,2-4H2,1H3/t5?,6-,7-,8+/m1/s1
InChIKeyVYFXZBVUDWPZLD-IDWMTUBTSA-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 (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The IUPAC name of (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol (CID 118288196) is (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol.
What is the SMILES notation for (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The canonical SMILES for (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is CC1CO[C@@H]2[C@H](O)CC[C@H]12.
What is the InChIKey of (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
The InChIKey is VYFXZBVUDWPZLD-IDWMTUBTSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-4-10-8-6(5)2-3-7(8)9/h5-9H,2-4H2,1H3/t5?,6-,7-,8+/m1/s1.
What are the key properties of (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol?
(3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-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 (3aR,6R,6aS)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-ol is sourced from PubChem (CID 118288196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).