2,2-dimethoxydecanal

C12H24O3 — CID 15847416

IUPAC2,2-dimethoxydecanal
SMILESCCCCCCCCC(C=O)(OC)OC
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-10-12(11-13,14-2)15-3/h11H,4-10H2,1-3H3
InChIKeyFWEKXFZOGOGONX-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.92
Rot. Bonds10

About 2,2-dimethoxydecanal

2,2-dimethoxydecanal (PubChem CID 15847416) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,2-dimethoxydecanal.

Molecular Properties

Compound Name2,2-dimethoxydecanal
PubChem CID15847416
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2,2-dimethoxydecanal
SMILESCCCCCCCCC(C=O)(OC)OC
InChIInChI=1S/C12H24O3/c1-4-5-6-7-8-9-10-12(11-13,14-2)15-3/h11H,4-10H2,1-3H3
InChIKeyFWEKXFZOGOGONX-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dimethoxydecanal 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

8,8-Dimethoxyoctanal
CID 11008678
13,15-Dioxahexadecanal
CID 11746881
Acetoxy decanal
CID 12848324
1-Methoxyoctan-2-one
CID 13108542
8-(Methoxymethoxy)octanal
CID 13319193
Butylglyoxal dimethylacetal
CID 18926162
Formylmethyl-octanoate
CID 57196659
Methyl 9-oxonononoate
CID 57232615
Acetyloxynonanal
CID 76044630
Acetoxyoctanal
CID 85751669
Dodecanal, 12,12-dimethoxy-
CID 11459205
2,2-Dimethoxyheptanal
CID 19967820

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxydecanal?
The IUPAC name of 2,2-dimethoxydecanal (CID 15847416) is 2,2-dimethoxydecanal.
What is the SMILES notation for 2,2-dimethoxydecanal?
The canonical SMILES for 2,2-dimethoxydecanal is CCCCCCCCC(C=O)(OC)OC.
What is the InChIKey of 2,2-dimethoxydecanal?
The InChIKey is FWEKXFZOGOGONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-5-6-7-8-9-10-12(11-13,14-2)15-3/h11H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethoxydecanal?
2,2-dimethoxydecanal has a molecular weight of 216.32 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxydecanal is sourced from PubChem (CID 15847416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).