12-hydroxy-4,7,10-trioxododecanal

C12H18O5 — CID 87281698

IUPAC12-hydroxy-4,7,10-trioxododecanal
SMILESO=CCCC(=O)CCC(=O)CCC(=O)CCO
InChIInChI=1S/C12H18O5/c13-8-1-2-10(15)3-4-11(16)5-6-12(17)7-9-14/h8,14H,1-7,9H2
InChIKeyRZXDUBCZLVWUKH-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.62
Rot. Bonds11

About 12-hydroxy-4,7,10-trioxododecanal

12-hydroxy-4,7,10-trioxododecanal (PubChem CID 87281698) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 12-hydroxy-4,7,10-trioxododecanal.

Molecular Properties

Compound Name12-hydroxy-4,7,10-trioxododecanal
PubChem CID87281698
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name12-hydroxy-4,7,10-trioxododecanal
SMILESO=CCCC(=O)CCC(=O)CCC(=O)CCO
InChIInChI=1S/C12H18O5/c13-8-1-2-10(15)3-4-11(16)5-6-12(17)7-9-14/h8,14H,1-7,9H2
InChIKeyRZXDUBCZLVWUKH-UHFFFAOYSA-N
XLogP0.62
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyhept-6-en-3-one
CID 152521380
6-amino-4-oxohexanal
CID 23192473
9,12-dioxododecanoic acid
CID 5312888
4-oxodec-7-enal
CID 3016242
4-oxohexanal;zirconium
CID 175550400
4-hydroxybutanoic acid;4-oxobutanoic acid
CID 89310122
3-hydroxypropanal;hydrochloride
CID 87570947
1,5-dihydroxypentan-3-one;2,3-dihydroxypropanal;bis(dioxomolybdenum)
CID 161329413
(E)-9-bromo-4-methyl-8-oxonon-4-enal
CID 12944767
2,5-dioxopentanoic acid
CID 87139095
(Z)-1-hydroxyundec-8-en-3-one
CID 174922632
8-hydroxy-6-oxooctanoic acid
CID 22280337

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-4,7,10-trioxododecanal?
The IUPAC name of 12-hydroxy-4,7,10-trioxododecanal (CID 87281698) is 12-hydroxy-4,7,10-trioxododecanal.
What is the SMILES notation for 12-hydroxy-4,7,10-trioxododecanal?
The canonical SMILES for 12-hydroxy-4,7,10-trioxododecanal is O=CCCC(=O)CCC(=O)CCC(=O)CCO.
What is the InChIKey of 12-hydroxy-4,7,10-trioxododecanal?
The InChIKey is RZXDUBCZLVWUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c13-8-1-2-10(15)3-4-11(16)5-6-12(17)7-9-14/h8,14H,1-7,9H2.
What are the key properties of 12-hydroxy-4,7,10-trioxododecanal?
12-hydroxy-4,7,10-trioxododecanal has a molecular weight of 242.27 g/mol, XLogP of 0.62, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-4,7,10-trioxododecanal is sourced from PubChem (CID 87281698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).