3,5,7,9,11-pentaoxododecanal

C12H14O6 — CID 146672932

IUPAC3,5,7,9,11-pentaoxododecanal
SMILESCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
InChIInChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3
InChIKeyPTGARLKYUIIZKU-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.00
Rot. Bonds10

About 3,5,7,9,11-pentaoxododecanal

3,5,7,9,11-pentaoxododecanal (PubChem CID 146672932) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3,5,7,9,11-pentaoxododecanal.

Molecular Properties

Compound Name3,5,7,9,11-pentaoxododecanal
PubChem CID146672932
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name3,5,7,9,11-pentaoxododecanal
SMILESCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
InChIInChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3
InChIKeyPTGARLKYUIIZKU-UHFFFAOYSA-N
XLogP0.00
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,7,9,11-pentaoxododecanal?
The IUPAC name of 3,5,7,9,11-pentaoxododecanal (CID 146672932) is 3,5,7,9,11-pentaoxododecanal.
What is the SMILES notation for 3,5,7,9,11-pentaoxododecanal?
The canonical SMILES for 3,5,7,9,11-pentaoxododecanal is CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O.
What is the InChIKey of 3,5,7,9,11-pentaoxododecanal?
The InChIKey is PTGARLKYUIIZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3.
What are the key properties of 3,5,7,9,11-pentaoxododecanal?
3,5,7,9,11-pentaoxododecanal has a molecular weight of 254.24 g/mol, XLogP of 0.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,9,11-pentaoxododecanal is sourced from PubChem (CID 146672932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).