methyl 4-methoxy-2,4-dimethylpentanoate

C9H18O3 — CID 22982800

IUPACmethyl 4-methoxy-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)OC
InChIInChI=1S/C9H18O3/c1-7(8(10)11-4)6-9(2,3)12-5/h7H,6H2,1-5H3
InChIKeyPOOQZDTWFPXQIL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.61
Rot. Bonds4

About methyl 4-methoxy-2,4-dimethylpentanoate

methyl 4-methoxy-2,4-dimethylpentanoate (PubChem CID 22982800) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 4-methoxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2,4-dimethylpentanoate
PubChem CID22982800
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl 4-methoxy-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)OC
InChIInChI=1S/C9H18O3/c1-7(8(10)11-4)6-9(2,3)12-5/h7H,6H2,1-5H3
InChIKeyPOOQZDTWFPXQIL-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl (2R)-4,4,4-trichloro-2-methylbutanoate
CID 6932681
dimethyl 2,2-dimethoxy-4-methylpentanedioate
CID 11379303
methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 89164564
methyl (2S)-4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 87688849
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
CID 104646437
methyl 2-(cyclopropylamino)-4-methoxy-4-methylpentanoate
CID 106675932
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
CID 103033239
methyl 4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptanoate
CID 155658022
dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
CID 103023222
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2,4-dimethylpentanoate?
The IUPAC name of methyl 4-methoxy-2,4-dimethylpentanoate (CID 22982800) is methyl 4-methoxy-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-methoxy-2,4-dimethylpentanoate?
The canonical SMILES for methyl 4-methoxy-2,4-dimethylpentanoate is COC(=O)C(C)CC(C)(C)OC.
What is the InChIKey of methyl 4-methoxy-2,4-dimethylpentanoate?
The InChIKey is POOQZDTWFPXQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(8(10)11-4)6-9(2,3)12-5/h7H,6H2,1-5H3.
What are the key properties of methyl 4-methoxy-2,4-dimethylpentanoate?
methyl 4-methoxy-2,4-dimethylpentanoate has a molecular weight of 174.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2,4-dimethylpentanoate is sourced from PubChem (CID 22982800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).