9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde

C11H16O3 — CID 10965437

IUPAC9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde
SMILESC=CCC1(C=O)CCCC12OCCO2
InChIInChI=1S/C11H16O3/c1-2-4-10(9-12)5-3-6-11(10)13-7-8-14-11/h2,9H,1,3-8H2
InChIKeyPQDXOQDEPJNXTG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds3

About 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde

9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde (PubChem CID 10965437) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde.

Molecular Properties

Compound Name9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde
PubChem CID10965437
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde
SMILESC=CCC1(C=O)CCCC12OCCO2
InChIInChI=1S/C11H16O3/c1-2-4-10(9-12)5-3-6-11(10)13-7-8-14-11/h2,9H,1,3-8H2
InChIKeyPQDXOQDEPJNXTG-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde?
The IUPAC name of 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde (CID 10965437) is 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde.
What is the SMILES notation for 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde?
The canonical SMILES for 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde is C=CCC1(C=O)CCCC12OCCO2.
What is the InChIKey of 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde?
The InChIKey is PQDXOQDEPJNXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-4-10(9-12)5-3-6-11(10)13-7-8-14-11/h2,9H,1,3-8H2.
What are the key properties of 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde?
9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde has a molecular weight of 196.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane-9-carbaldehyde is sourced from PubChem (CID 10965437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).