4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde

C15H16O3 — CID 130331777

IUPAC4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
SMILESO=Cc1ccc(C2=CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H16O3/c16-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)17-9-10-18-15/h1-5,11H,6-10H2
InChIKeyAJROBNZZNFCUEB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.81
Rot. Bonds2

About 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde

4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde (PubChem CID 130331777) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
PubChem CID130331777
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
SMILESO=Cc1ccc(C2=CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H16O3/c16-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)17-9-10-18-15/h1-5,11H,6-10H2
InChIKeyAJROBNZZNFCUEB-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.81
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 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde (CID 130331777) is 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde is O=Cc1ccc(C2=CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde?
The InChIKey is AJROBNZZNFCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c16-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)17-9-10-18-15/h1-5,11H,6-10H2.
What are the key properties of 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde?
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde has a molecular weight of 244.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde is sourced from PubChem (CID 130331777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).