6-hydroxy-2,2,6-trimethylundecanal

C14H28O2 — CID 89123986

IUPAC6-hydroxy-2,2,6-trimethylundecanal
SMILESCCCCCC(C)(O)CCCC(C)(C)C=O
InChIInChI=1S/C14H28O2/c1-5-6-7-10-14(4,16)11-8-9-13(2,3)12-15/h12,16H,5-11H2,1-4H3
InChIKeyLJFXDHGJOJJERD-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.71
Rot. Bonds9

About 6-hydroxy-2,2,6-trimethylundecanal

6-hydroxy-2,2,6-trimethylundecanal (PubChem CID 89123986) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 6-hydroxy-2,2,6-trimethylundecanal.

Molecular Properties

Compound Name6-hydroxy-2,2,6-trimethylundecanal
PubChem CID89123986
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name6-hydroxy-2,2,6-trimethylundecanal
SMILESCCCCCC(C)(O)CCCC(C)(C)C=O
InChIInChI=1S/C14H28O2/c1-5-6-7-10-14(4,16)11-8-9-13(2,3)12-15/h12,16H,5-11H2,1-4H3
InChIKeyLJFXDHGJOJJERD-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.71
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 6-hydroxy-2,2,6-trimethylundecanal?
The IUPAC name of 6-hydroxy-2,2,6-trimethylundecanal (CID 89123986) is 6-hydroxy-2,2,6-trimethylundecanal.
What is the SMILES notation for 6-hydroxy-2,2,6-trimethylundecanal?
The canonical SMILES for 6-hydroxy-2,2,6-trimethylundecanal is CCCCCC(C)(O)CCCC(C)(C)C=O.
What is the InChIKey of 6-hydroxy-2,2,6-trimethylundecanal?
The InChIKey is LJFXDHGJOJJERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-6-7-10-14(4,16)11-8-9-13(2,3)12-15/h12,16H,5-11H2,1-4H3.
What are the key properties of 6-hydroxy-2,2,6-trimethylundecanal?
6-hydroxy-2,2,6-trimethylundecanal has a molecular weight of 228.38 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2,6-trimethylundecanal is sourced from PubChem (CID 89123986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).