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

C9H16O3 — CID 10773524

IUPAC(3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol
SMILESCO[C@@]12CCC[C@]1(O)[C@H](C)CO2
InChIInChI=1S/C9H16O3/c1-7-6-12-9(11-2)5-3-4-8(7,9)10/h7,10H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyLGQQSQRZGCMRII-HRDYMLBCSA-N
MW172.22 g/mol
LogP0.91
Rot. Bonds1

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

(3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol (PubChem CID 10773524) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol.

Molecular Properties

Compound Name(3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol
PubChem CID10773524
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol
SMILESCO[C@@]12CCC[C@]1(O)[C@H](C)CO2
InChIInChI=1S/C9H16O3/c1-7-6-12-9(11-2)5-3-4-8(7,9)10/h7,10H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyLGQQSQRZGCMRII-HRDYMLBCSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol?
The IUPAC name of (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol (CID 10773524) is (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol.
What is the SMILES notation for (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol?
The canonical SMILES for (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol is CO[C@@]12CCC[C@]1(O)[C@H](C)CO2.
What is the InChIKey of (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol?
The InChIKey is LGQQSQRZGCMRII-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-6-12-9(11-2)5-3-4-8(7,9)10/h7,10H,3-6H2,1-2H3/t7-,8+,9-/m1/s1.
What are the key properties of (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol?
(3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol has a molecular weight of 172.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aR)-6a-methoxy-3-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-ol is sourced from PubChem (CID 10773524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).