(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde

C15H20O2 — CID 89335991

IUPAC(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
SMILESCCC1C=CCC2(C=O)OC3CC=CCC3C12
InChIInChI=1S/C15H20O2/c1-2-11-6-5-9-15(10-16)14(11)12-7-3-4-8-13(12)17-15/h3-6,10-14H,2,7-9H2,1H3
InChIKeyQHVMNLCUNIZSOB-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.89
Rot. Bonds2

About (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde

(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde (PubChem CID 89335991) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde.

Molecular Properties

Compound Name(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
PubChem CID89335991
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
SMILESCCC1C=CCC2(C=O)OC3CC=CCC3C12
InChIInChI=1S/C15H20O2/c1-2-11-6-5-9-15(10-16)14(11)12-7-3-4-8-13(12)17-15/h3-6,10-14H,2,7-9H2,1H3
InChIKeyQHVMNLCUNIZSOB-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde?
The IUPAC name of (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde (CID 89335991) is (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde.
What is the SMILES notation for (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde?
The canonical SMILES for (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde is CCC1C=CCC2(C=O)OC3CC=CCC3C12.
What is the InChIKey of (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde?
The InChIKey is QHVMNLCUNIZSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-11-6-5-9-15(10-16)14(11)12-7-3-4-8-13(12)17-15/h3-6,10-14H,2,7-9H2,1H3.
What are the key properties of (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde?
(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde is sourced from PubChem (CID 89335991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).