methyl (7R)-7-hydroxyoctanoate

C9H18O3 — CID 13111883

IUPACmethyl (7R)-7-hydroxyoctanoate
SMILESCOC(=O)CCCCC[C@@H](C)O
InChIInChI=1S/C9H18O3/c1-8(10)6-4-3-5-7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyVODLVBKLDXOEOP-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.49
Rot. Bonds6

About methyl (7R)-7-hydroxyoctanoate

methyl (7R)-7-hydroxyoctanoate (PubChem CID 13111883) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl (7R)-7-hydroxyoctanoate.

Molecular Properties

Compound Namemethyl (7R)-7-hydroxyoctanoate
PubChem CID13111883
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl (7R)-7-hydroxyoctanoate
SMILESCOC(=O)CCCCC[C@@H](C)O
InChIInChI=1S/C9H18O3/c1-8(10)6-4-3-5-7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyVODLVBKLDXOEOP-MRVPVSSYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (7R)-7-hydroxyoctanoate 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 14-hydroxypentadecanoate
CID 13111893
methyl 9-hydroxydecanoate
CID 530430
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
methyl 21-methyldocosanoate
CID 14178788
methyl 8-hydroxy-7-methylnonanoate
CID 90765466
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl 4-methyltetradecanedioate
CID 87116988
dimethyl 3-methylnonadecanedioate
CID 89439795
methyl (18R)-18-methylicosanoate
CID 102237844
(2R)-2-hydroxy-9-methoxy-9-oxononanoic acid
CID 129391242

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-7-hydroxyoctanoate?
The IUPAC name of methyl (7R)-7-hydroxyoctanoate (CID 13111883) is methyl (7R)-7-hydroxyoctanoate.
What is the SMILES notation for methyl (7R)-7-hydroxyoctanoate?
The canonical SMILES for methyl (7R)-7-hydroxyoctanoate is COC(=O)CCCCC[C@@H](C)O.
What is the InChIKey of methyl (7R)-7-hydroxyoctanoate?
The InChIKey is VODLVBKLDXOEOP-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(10)6-4-3-5-7-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (7R)-7-hydroxyoctanoate?
methyl (7R)-7-hydroxyoctanoate has a molecular weight of 174.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-7-hydroxyoctanoate is sourced from PubChem (CID 13111883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).