4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid

C14H28O5 — CID 142009252

IUPAC4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
SMILESCOCCOC(C)(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C14H28O5/c1-13(2,7-6-12(15)16)18-9-8-14(3,4)19-11-10-17-5/h6-11H2,1-5H3,(H,15,16)
InChIKeyZTTVPERRUYSIFJ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.48
Rot. Bonds11

About 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid

4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid (PubChem CID 142009252) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
PubChem CID142009252
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid
SMILESCOCCOC(C)(C)CCOC(C)(C)CCC(=O)O
InChIInChI=1S/C14H28O5/c1-13(2,7-6-12(15)16)18-9-8-14(3,4)19-11-10-17-5/h6-11H2,1-5H3,(H,15,16)
InChIKeyZTTVPERRUYSIFJ-UHFFFAOYSA-N
XLogP2.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129177449
3-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylsulfanyl]propanoic acid
CID 155228839
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761
3-[3-(2-methoxy-2-methylpropoxy)-3-methylbutoxy]propanoic acid
CID 130253425
4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
2-[4-(4-methoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyacetaldehyde
CID 166753432
3-methoxypropanoic acid;yttrium
CID 87432975
5-methyl-5-[3-methyl-3-[2-(propylamino)ethoxy]butoxy]hexan-2-one
CID 172602784
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511
2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
CID 89073210

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid?
The IUPAC name of 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid (CID 142009252) is 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid?
The canonical SMILES for 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid is COCCOC(C)(C)CCOC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid?
The InChIKey is ZTTVPERRUYSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-13(2,7-6-12(15)16)18-9-8-14(3,4)19-11-10-17-5/h6-11H2,1-5H3,(H,15,16).
What are the key properties of 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid?
4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid has a molecular weight of 276.37 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)-3-methylbutoxy]-4-methylpentanoic acid is sourced from PubChem (CID 142009252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).