2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde

C16H20O3 — CID 56954480

IUPAC2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C16H20O3/c17-12-15(13-5-2-1-3-6-13)14-7-4-8-16(11-14)18-9-10-19-16/h1-3,5-6,12,14-15H,4,7-11H2/t14-,15?/m1/s1
InChIKeyOIOPYOWOWQCDBO-GICMACPYSA-N
MW260.33 g/mol
LogP2.90
Rot. Bonds3

About 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde

2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde (PubChem CID 56954480) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
PubChem CID56954480
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
SMILESO=CC(c1ccccc1)[C@@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C16H20O3/c17-12-15(13-5-2-1-3-6-13)14-7-4-8-16(11-14)18-9-10-19-16/h1-3,5-6,12,14-15H,4,7-11H2/t14-,15?/m1/s1
InChIKeyOIOPYOWOWQCDBO-GICMACPYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde?
The IUPAC name of 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde (CID 56954480) is 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde.
What is the SMILES notation for 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde?
The canonical SMILES for 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde is O=CC(c1ccccc1)[C@@H]1CCCC2(C1)OCCO2.
What is the InChIKey of 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde?
The InChIKey is OIOPYOWOWQCDBO-GICMACPYSA-N. The full InChI is InChI=1S/C16H20O3/c17-12-15(13-5-2-1-3-6-13)14-7-4-8-16(11-14)18-9-10-19-16/h1-3,5-6,12,14-15H,4,7-11H2/t14-,15?/m1/s1.
What are the key properties of 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde?
2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde has a molecular weight of 260.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde is sourced from PubChem (CID 56954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).