methyl 4-methylpentanoate;methyl 3-phenylpropanoate

C17H26O4 — CID 174923229

IUPACmethyl 4-methylpentanoate;methyl 3-phenylpropanoate
SMILESCOC(=O)CCC(C)C.COC(=O)CCc1ccccc1
InChIInChI=1S/C10H12O2.C7H14O2/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-6(2)4-5-7(8)9-3/h2-6H,7-8H2,1H3;6H,4-5H2,1-3H3
InChIKeyPGGZLDJGUYUEPL-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.39
Rot. Bonds6

About methyl 4-methylpentanoate;methyl 3-phenylpropanoate

methyl 4-methylpentanoate;methyl 3-phenylpropanoate (PubChem CID 174923229) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 4-methylpentanoate;methyl 3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 4-methylpentanoate;methyl 3-phenylpropanoate
PubChem CID174923229
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Namemethyl 4-methylpentanoate;methyl 3-phenylpropanoate
SMILESCOC(=O)CCC(C)C.COC(=O)CCc1ccccc1
InChIInChI=1S/C10H12O2.C7H14O2/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-6(2)4-5-7(8)9-3/h2-6H,7-8H2,1H3;6H,4-5H2,1-3H3
InChIKeyPGGZLDJGUYUEPL-UHFFFAOYSA-N
XLogP3.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-methylpentanoate;methyl 3-phenylpropanoate 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

ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
2-phenylethyl 4-methylpentanoate
CID 69256004
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
benzamide;methyl 3-phenylpropanoate
CID 154677392
8-methylnonyl 3-phenylpropanoate
CID 129279386
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
[(2R)-5-methoxy-5-oxo-1-phenylpentan-2-yl]azanium
CID 162451826
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
propan-2-yl 3-phenylpropaneperoxoate
CID 150450649
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpentanoate;methyl 3-phenylpropanoate?
The IUPAC name of methyl 4-methylpentanoate;methyl 3-phenylpropanoate (CID 174923229) is methyl 4-methylpentanoate;methyl 3-phenylpropanoate.
What is the SMILES notation for methyl 4-methylpentanoate;methyl 3-phenylpropanoate?
The canonical SMILES for methyl 4-methylpentanoate;methyl 3-phenylpropanoate is COC(=O)CCC(C)C.COC(=O)CCc1ccccc1.
What is the InChIKey of methyl 4-methylpentanoate;methyl 3-phenylpropanoate?
The InChIKey is PGGZLDJGUYUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C7H14O2/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-6(2)4-5-7(8)9-3/h2-6H,7-8H2,1H3;6H,4-5H2,1-3H3.
What are the key properties of methyl 4-methylpentanoate;methyl 3-phenylpropanoate?
methyl 4-methylpentanoate;methyl 3-phenylpropanoate has a molecular weight of 294.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpentanoate;methyl 3-phenylpropanoate is sourced from PubChem (CID 174923229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).