(6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde

C9H12O4 — CID 130730238

IUPAC(6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde
SMILESCO[C@@H]1CCC2C(C=O)C(=O)OC21
InChIInChI=1S/C9H12O4/c1-12-7-3-2-5-6(4-10)9(11)13-8(5)7/h4-8H,2-3H2,1H3/t5?,6?,7-,8?/m1/s1
InChIKeyVJRXEANHRUBYHV-DJAIAVIWSA-N
MW184.19 g/mol
LogP0.15
Rot. Bonds2

About (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde

(6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde (PubChem CID 130730238) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde.

Molecular Properties

Compound Name(6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde
PubChem CID130730238
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde
SMILESCO[C@@H]1CCC2C(C=O)C(=O)OC21
InChIInChI=1S/C9H12O4/c1-12-7-3-2-5-6(4-10)9(11)13-8(5)7/h4-8H,2-3H2,1H3/t5?,6?,7-,8?/m1/s1
InChIKeyVJRXEANHRUBYHV-DJAIAVIWSA-N
XLogP0.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde?
The IUPAC name of (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde (CID 130730238) is (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde.
What is the SMILES notation for (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde?
The canonical SMILES for (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde is CO[C@@H]1CCC2C(C=O)C(=O)OC21.
What is the InChIKey of (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde?
The InChIKey is VJRXEANHRUBYHV-DJAIAVIWSA-N. The full InChI is InChI=1S/C9H12O4/c1-12-7-3-2-5-6(4-10)9(11)13-8(5)7/h4-8H,2-3H2,1H3/t5?,6?,7-,8?/m1/s1.
What are the key properties of (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde?
(6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde has a molecular weight of 184.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methoxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-carbaldehyde is sourced from PubChem (CID 130730238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).