(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde

C10H16O3 — CID 11019534

IUPAC(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde
SMILESCCOC1C[C@]2(C=O)CCC[C@@H]2O1
InChIInChI=1S/C10H16O3/c1-2-12-9-6-10(7-11)5-3-4-8(10)13-9/h7-9H,2-6H2,1H3/t8-,9?,10-/m0/s1
InChIKeyVHFHLDBALARKDD-SMILAEQMSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds3

About (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde

(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde (PubChem CID 11019534) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde.

Molecular Properties

Compound Name(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde
PubChem CID11019534
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde
SMILESCCOC1C[C@]2(C=O)CCC[C@@H]2O1
InChIInChI=1S/C10H16O3/c1-2-12-9-6-10(7-11)5-3-4-8(10)13-9/h7-9H,2-6H2,1H3/t8-,9?,10-/m0/s1
InChIKeyVHFHLDBALARKDD-SMILAEQMSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde?
The IUPAC name of (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde (CID 11019534) is (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde.
What is the SMILES notation for (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde?
The canonical SMILES for (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde is CCOC1C[C@]2(C=O)CCC[C@@H]2O1.
What is the InChIKey of (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde?
The InChIKey is VHFHLDBALARKDD-SMILAEQMSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-12-9-6-10(7-11)5-3-4-8(10)13-9/h7-9H,2-6H2,1H3/t8-,9?,10-/m0/s1.
What are the key properties of (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde?
(3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carbaldehyde is sourced from PubChem (CID 11019534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).