12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal

C16H28O4 — CID 59356093

IUPAC12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal
SMILESCC(C)(C=O)CCC(=O)CCC(=O)CCC(C)(C)CO
InChIInChI=1S/C16H28O4/c1-15(2,11-17)9-7-13(19)5-6-14(20)8-10-16(3,4)12-18/h11,18H,5-10,12H2,1-4H3
InChIKeyOQGZSCNWYLEGAG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.71
Rot. Bonds11

About 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal

12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal (PubChem CID 59356093) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal.

Molecular Properties

Compound Name12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal
PubChem CID59356093
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal
SMILESCC(C)(C=O)CCC(=O)CCC(=O)CCC(C)(C)CO
InChIInChI=1S/C16H28O4/c1-15(2,11-17)9-7-13(19)5-6-14(20)8-10-16(3,4)12-18/h11,18H,5-10,12H2,1-4H3
InChIKeyOQGZSCNWYLEGAG-UHFFFAOYSA-N
XLogP2.71
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal?
The IUPAC name of 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal (CID 59356093) is 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal.
What is the SMILES notation for 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal?
The canonical SMILES for 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal is CC(C)(C=O)CCC(=O)CCC(=O)CCC(C)(C)CO.
What is the InChIKey of 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal?
The InChIKey is OQGZSCNWYLEGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-15(2,11-17)9-7-13(19)5-6-14(20)8-10-16(3,4)12-18/h11,18H,5-10,12H2,1-4H3.
What are the key properties of 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal?
12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal has a molecular weight of 284.40 g/mol, XLogP of 2.71, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-2,2,11,11-tetramethyl-5,8-dioxododecanal is sourced from PubChem (CID 59356093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).