(2S,6S)-6-hydroxy-2-methyldodecanal

C13H26O2 — CID 101186421

IUPAC(2S,6S)-6-hydroxy-2-methyldodecanal
SMILESCCCCCC[C@H](O)CCC[C@H](C)C=O
InChIInChI=1S/C13H26O2/c1-3-4-5-6-9-13(15)10-7-8-12(2)11-14/h11-13,15H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyVVZABNZZSJDEGM-STQMWFEESA-N
MW214.35 g/mol
LogP3.32
Rot. Bonds10

About (2S,6S)-6-hydroxy-2-methyldodecanal

(2S,6S)-6-hydroxy-2-methyldodecanal (PubChem CID 101186421) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S,6S)-6-hydroxy-2-methyldodecanal.

Molecular Properties

Compound Name(2S,6S)-6-hydroxy-2-methyldodecanal
PubChem CID101186421
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(2S,6S)-6-hydroxy-2-methyldodecanal
SMILESCCCCCC[C@H](O)CCC[C@H](C)C=O
InChIInChI=1S/C13H26O2/c1-3-4-5-6-9-13(15)10-7-8-12(2)11-14/h11-13,15H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyVVZABNZZSJDEGM-STQMWFEESA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.32
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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Related Compounds

2-methyldodecanal
CID 87784106
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692
2-methyldecanal;undecanal
CID 159845344
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
nonacosane-7,20-diol
CID 174949468
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
2-methylundecanal;tetradecanal
CID 87951053

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-hydroxy-2-methyldodecanal?
The IUPAC name of (2S,6S)-6-hydroxy-2-methyldodecanal (CID 101186421) is (2S,6S)-6-hydroxy-2-methyldodecanal.
What is the SMILES notation for (2S,6S)-6-hydroxy-2-methyldodecanal?
The canonical SMILES for (2S,6S)-6-hydroxy-2-methyldodecanal is CCCCCC[C@H](O)CCC[C@H](C)C=O.
What is the InChIKey of (2S,6S)-6-hydroxy-2-methyldodecanal?
The InChIKey is VVZABNZZSJDEGM-STQMWFEESA-N. The full InChI is InChI=1S/C13H26O2/c1-3-4-5-6-9-13(15)10-7-8-12(2)11-14/h11-13,15H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-6-hydroxy-2-methyldodecanal?
(2S,6S)-6-hydroxy-2-methyldodecanal has a molecular weight of 214.35 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-hydroxy-2-methyldodecanal is sourced from PubChem (CID 101186421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).