7-hydroxy-2,2,12,12-tetramethyltridecanal

C17H34O2 — CID 59514850

IUPAC7-hydroxy-2,2,12,12-tetramethyltridecanal
SMILESCC(C)(C)CCCCC(O)CCCCC(C)(C)C=O
InChIInChI=1S/C17H34O2/c1-16(2,3)12-8-6-10-15(19)11-7-9-13-17(4,5)14-18/h14-15,19H,6-13H2,1-5H3
InChIKeyURKLYWRAZWMIBN-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.74
Rot. Bonds10

About 7-hydroxy-2,2,12,12-tetramethyltridecanal

7-hydroxy-2,2,12,12-tetramethyltridecanal (PubChem CID 59514850) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 7-hydroxy-2,2,12,12-tetramethyltridecanal.

Molecular Properties

Compound Name7-hydroxy-2,2,12,12-tetramethyltridecanal
PubChem CID59514850
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name7-hydroxy-2,2,12,12-tetramethyltridecanal
SMILESCC(C)(C)CCCCC(O)CCCCC(C)(C)C=O
InChIInChI=1S/C17H34O2/c1-16(2,3)12-8-6-10-15(19)11-7-9-13-17(4,5)14-18/h14-15,19H,6-13H2,1-5H3
InChIKeyURKLYWRAZWMIBN-UHFFFAOYSA-N
XLogP4.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,2,12,12-tetramethyltridecanal?
The IUPAC name of 7-hydroxy-2,2,12,12-tetramethyltridecanal (CID 59514850) is 7-hydroxy-2,2,12,12-tetramethyltridecanal.
What is the SMILES notation for 7-hydroxy-2,2,12,12-tetramethyltridecanal?
The canonical SMILES for 7-hydroxy-2,2,12,12-tetramethyltridecanal is CC(C)(C)CCCCC(O)CCCCC(C)(C)C=O.
What is the InChIKey of 7-hydroxy-2,2,12,12-tetramethyltridecanal?
The InChIKey is URKLYWRAZWMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-16(2,3)12-8-6-10-15(19)11-7-9-13-17(4,5)14-18/h14-15,19H,6-13H2,1-5H3.
What are the key properties of 7-hydroxy-2,2,12,12-tetramethyltridecanal?
7-hydroxy-2,2,12,12-tetramethyltridecanal has a molecular weight of 270.46 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,2,12,12-tetramethyltridecanal is sourced from PubChem (CID 59514850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).