3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde

C10H16O3 — CID 14733138

IUPAC3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde
SMILESCC1(C)OC2(CCCC2)OC1C=O
InChIInChI=1S/C10H16O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyTWSIOPPJMVNENZ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds1

About 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde

3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde (PubChem CID 14733138) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde.

Molecular Properties

Compound Name3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde
PubChem CID14733138
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde
SMILESCC1(C)OC2(CCCC2)OC1C=O
InChIInChI=1S/C10H16O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h7-8H,3-6H2,1-2H3
InChIKeyTWSIOPPJMVNENZ-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-2,2,5,5-Tetramethyl-1,3-dioxolane-4-carbaldehyde
CID 13227510
(4R,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolane-4-carbaldehyde
CID 12641462
2,2,5,5-Tetramethyl-1,3-dioxolane-4-carbaldehyde
CID 13227509
3-Methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 20506981
3-Methyl-9-oxo-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 54384868
(4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carbaldehyde
CID 54472729
2,2-Dimethyl-4-propyl-1,3-dioxolane-4-carbaldehyde
CID 57149180
2,2,5-Triethyl-1,3-dioxolane-4-carbaldehyde
CID 89338555
2-[[2,4-Dimethyl-4-(2-oxopropyl)-1,3-dioxolan-2-yl]oxy]acetaldehyde
CID 173573815
(2R,3R)-2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 10888880
(3R)-3-ethyl-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 11008907
(2R,3S)-2-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 11116482

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
The IUPAC name of 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde (CID 14733138) is 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde.
What is the SMILES notation for 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
The canonical SMILES for 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde is CC1(C)OC2(CCCC2)OC1C=O.
What is the InChIKey of 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
The InChIKey is TWSIOPPJMVNENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-9(2)8(7-11)12-10(13-9)5-3-4-6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde?
3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,4-dioxaspiro[4.4]nonane-2-carbaldehyde is sourced from PubChem (CID 14733138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).