2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde

C17H22O2 — CID 129106264

IUPAC2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde
SMILESO=CCC1(c2ccccc2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H22O2/c18-12-10-16(15-6-2-1-3-7-15)11-13-19-17(14-16)8-4-5-9-17/h1-3,6-7,12H,4-5,8-11,13-14H2
InChIKeyQEMDTDCFHSMAOI-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.64
Rot. Bonds3

About 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde

2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde (PubChem CID 129106264) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde.

Molecular Properties

Compound Name2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde
PubChem CID129106264
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde
SMILESO=CCC1(c2ccccc2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H22O2/c18-12-10-16(15-6-2-1-3-7-15)11-13-19-17(14-16)8-4-5-9-17/h1-3,6-7,12H,4-5,8-11,13-14H2
InChIKeyQEMDTDCFHSMAOI-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
The IUPAC name of 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde (CID 129106264) is 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde.
What is the SMILES notation for 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
The canonical SMILES for 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde is O=CCC1(c2ccccc2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
The InChIKey is QEMDTDCFHSMAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-12-10-16(15-6-2-1-3-7-15)11-13-19-17(14-16)8-4-5-9-17/h1-3,6-7,12H,4-5,8-11,13-14H2.
What are the key properties of 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde?
2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde has a molecular weight of 258.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenyl-6-oxaspiro[4.5]decan-9-yl)acetaldehyde is sourced from PubChem (CID 129106264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).