2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde

C10H14O3 — CID 10943093

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde
SMILESO=CC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3,6H,1-2,4-5,7-8H2
InChIKeyNKLCCNNUAFVSEJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds1

About 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde

2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde (PubChem CID 10943093) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde
PubChem CID10943093
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde
SMILESO=CC=C1CCC2(CC1)OCCO2
InChIInChI=1S/C10H14O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3,6H,1-2,4-5,7-8H2
InChIKeyNKLCCNNUAFVSEJ-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde (CID 10943093) is 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde is O=CC=C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde?
The InChIKey is NKLCCNNUAFVSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h3,6H,1-2,4-5,7-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde?
2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde has a molecular weight of 182.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetaldehyde is sourced from PubChem (CID 10943093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).