spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde

C12H12O3 — CID 74892498

IUPACspiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(CC2)OCCO1
InChIInChI=1S/C12H12O3/c13-8-9-1-2-10-3-4-12(11(10)7-9)14-5-6-15-12/h1-2,7-8H,3-6H2
InChIKeyOFSSZQKGBNZZAD-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.64
Rot. Bonds1

About spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde

spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde (PubChem CID 74892498) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde
PubChem CID74892498
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namespiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(CC2)OCCO1
InChIInChI=1S/C12H12O3/c13-8-9-1-2-10-3-4-12(11(10)7-9)14-5-6-15-12/h1-2,7-8H,3-6H2
InChIKeyOFSSZQKGBNZZAD-UHFFFAOYSA-N
XLogP1.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.64
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 spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde?
The IUPAC name of spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde (CID 74892498) is spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde.
What is the SMILES notation for spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde?
The canonical SMILES for spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde is O=Cc1ccc2c(c1)C1(CC2)OCCO1.
What is the InChIKey of spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde?
The InChIKey is OFSSZQKGBNZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-8-9-1-2-10-3-4-12(11(10)7-9)14-5-6-15-12/h1-2,7-8H,3-6H2.
What are the key properties of spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde?
spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde has a molecular weight of 204.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-5-carbaldehyde is sourced from PubChem (CID 74892498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).