12,12-dimethoxydodecanal

C14H28O3 — CID 11459205

IUPAC12,12-dimethoxydodecanal
SMILESCOC(CCCCCCCCCCC=O)OC
InChIInChI=1S/C14H28O3/c1-16-14(17-2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChIKeyMTDPQXWLNZDRPZ-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.71
Rot. Bonds13

About 12,12-dimethoxydodecanal

12,12-dimethoxydodecanal (PubChem CID 11459205) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 12,12-dimethoxydodecanal.

Molecular Properties

Compound Name12,12-dimethoxydodecanal
PubChem CID11459205
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name12,12-dimethoxydodecanal
SMILESCOC(CCCCCCCCCCC=O)OC
InChIInChI=1S/C14H28O3/c1-16-14(17-2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChIKeyMTDPQXWLNZDRPZ-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of 12,12-dimethoxydodecanal?
The IUPAC name of 12,12-dimethoxydodecanal (CID 11459205) is 12,12-dimethoxydodecanal.
What is the SMILES notation for 12,12-dimethoxydodecanal?
The canonical SMILES for 12,12-dimethoxydodecanal is COC(CCCCCCCCCCC=O)OC.
What is the InChIKey of 12,12-dimethoxydodecanal?
The InChIKey is MTDPQXWLNZDRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-16-14(17-2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 12,12-dimethoxydodecanal?
12,12-dimethoxydodecanal has a molecular weight of 244.37 g/mol, XLogP of 3.71, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethoxydodecanal is sourced from PubChem (CID 11459205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).