methyl 6-hydroxyhexanoate

C7H14O3 — CID 3083855

IUPACmethyl 6-hydroxyhexanoate
SMILESCOC(=O)CCCCCO
InChIInChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyYDJZXHZRXDLCEH-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds5

About methyl 6-hydroxyhexanoate

methyl 6-hydroxyhexanoate (PubChem CID 3083855) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 6-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl 6-hydroxyhexanoate
PubChem CID3083855
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl 6-hydroxyhexanoate
SMILESCOC(=O)CCCCCO
InChIInChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyYDJZXHZRXDLCEH-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 6-hydroxyhexanoate 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

Hexanoic Acid
CID 8892
Methyl hexanoate
CID 7824
1-Ethyl hexanedioate
CID 12295
Methyl 3-hydroxyhexanoate
CID 519845
6-Hydroxyhexanoic Acid
CID 14490
Nonanoic acid, 9-hydroxy-, methyl ester
CID 292983
monoMethyl adipate
CID 12328
6-Oxohexanoic acid
CID 440918
Ethyl 6-hydroxyhexanoate
CID 357781
7-Hydroxyheptanoic acid
CID 138016
Methyl 8-hydroxyoctanoate
CID 554055
6-Hydroxyhexanoate
CID 5460267

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxyhexanoate?
The IUPAC name of methyl 6-hydroxyhexanoate (CID 3083855) is methyl 6-hydroxyhexanoate.
What is the SMILES notation for methyl 6-hydroxyhexanoate?
The canonical SMILES for methyl 6-hydroxyhexanoate is COC(=O)CCCCCO.
What is the InChIKey of methyl 6-hydroxyhexanoate?
The InChIKey is YDJZXHZRXDLCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-10-7(9)5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of methyl 6-hydroxyhexanoate?
methyl 6-hydroxyhexanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxyhexanoate is sourced from PubChem (CID 3083855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).