methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate

C14H28O3 — CID 118887574

IUPACmethyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate
SMILESCOC(=O)CCCC[C@@H](CO)CCC(C)(C)C
InChIInChI=1S/C14H28O3/c1-14(2,3)10-9-12(11-15)7-5-6-8-13(16)17-4/h12,15H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyWGSIDDMHFFKZEE-GFCCVEGCSA-N
MW244.37 g/mol
LogP3.15
Rot. Bonds8

About methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate

methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate (PubChem CID 118887574) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate.

Molecular Properties

Compound Namemethyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate
PubChem CID118887574
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Namemethyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate
SMILESCOC(=O)CCCC[C@@H](CO)CCC(C)(C)C
InChIInChI=1S/C14H28O3/c1-14(2,3)10-9-12(11-15)7-5-6-8-13(16)17-4/h12,15H,5-11H2,1-4H3/t12-/m1/s1
InChIKeyWGSIDDMHFFKZEE-GFCCVEGCSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6,6-dimethylheptanoate
CID 20777196
methyl 9,11-bis(hydroxymethyl)octadecanoate
CID 58131062
CID 162111833
CID 162111833
methyl (6S)-6-(2-methoxyethyl)-8,8-dimethylnonanoate
CID 118887825
methyl (6S)-6-ethyl-8-hydroxyoctanoate
CID 118889774
methyl (5S)-5-(2-hydroxyethyl)-7,7-dimethyloctanoate
CID 118887519
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
CID 129034366
methyl 18-propylhenicosanoate
CID 546011
methyl 6-chloroheptanoate
CID 11423919
(2R)-2-(3,3-dimethylbutyl)-7-(2,2-dimethylpropylamino)heptan-1-ol
CID 118887577
trimethyl heptadecane-1,7,17-tricarboxylate
CID 102526998
methyl 21-methyldocosanoate
CID 14178788

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate?
The IUPAC name of methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate (CID 118887574) is methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate.
What is the SMILES notation for methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate?
The canonical SMILES for methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate is COC(=O)CCCC[C@@H](CO)CCC(C)(C)C.
What is the InChIKey of methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate?
The InChIKey is WGSIDDMHFFKZEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28O3/c1-14(2,3)10-9-12(11-15)7-5-6-8-13(16)17-4/h12,15H,5-11H2,1-4H3/t12-/m1/s1.
What are the key properties of methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate?
methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate has a molecular weight of 244.37 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(hydroxymethyl)-9,9-dimethyldecanoate is sourced from PubChem (CID 118887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).