methyl 5-methoxy-2,5-dimethylhexanoate

C10H20O3 — CID 134988427

IUPACmethyl 5-methoxy-2,5-dimethylhexanoate
SMILESCOC(=O)C(C)CCC(C)(C)OC
InChIInChI=1S/C10H20O3/c1-8(9(11)12-4)6-7-10(2,3)13-5/h8H,6-7H2,1-5H3
InChIKeyOFEXKMZUUWXNHH-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds5

About methyl 5-methoxy-2,5-dimethylhexanoate

methyl 5-methoxy-2,5-dimethylhexanoate (PubChem CID 134988427) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl 5-methoxy-2,5-dimethylhexanoate.

Molecular Properties

Compound Namemethyl 5-methoxy-2,5-dimethylhexanoate
PubChem CID134988427
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl 5-methoxy-2,5-dimethylhexanoate
SMILESCOC(=O)C(C)CCC(C)(C)OC
InChIInChI=1S/C10H20O3/c1-8(9(11)12-4)6-7-10(2,3)13-5/h8H,6-7H2,1-5H3
InChIKeyOFEXKMZUUWXNHH-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 5-methoxy-2,5-dimethylhexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2,5-dimethylhexanoate?
The IUPAC name of methyl 5-methoxy-2,5-dimethylhexanoate (CID 134988427) is methyl 5-methoxy-2,5-dimethylhexanoate.
What is the SMILES notation for methyl 5-methoxy-2,5-dimethylhexanoate?
The canonical SMILES for methyl 5-methoxy-2,5-dimethylhexanoate is COC(=O)C(C)CCC(C)(C)OC.
What is the InChIKey of methyl 5-methoxy-2,5-dimethylhexanoate?
The InChIKey is OFEXKMZUUWXNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(9(11)12-4)6-7-10(2,3)13-5/h8H,6-7H2,1-5H3.
What are the key properties of methyl 5-methoxy-2,5-dimethylhexanoate?
methyl 5-methoxy-2,5-dimethylhexanoate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2,5-dimethylhexanoate is sourced from PubChem (CID 134988427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).