2-(methoxymethyl)-2-methylpentanoic acid

C8H16O3 — CID 23056513

IUPAC2-(methoxymethyl)-2-methylpentanoic acid
SMILESCCCC(C)(COC)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5-8(2,6-11-3)7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKeyBJQZYQGOAMONRF-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds5

About 2-(methoxymethyl)-2-methylpentanoic acid

2-(methoxymethyl)-2-methylpentanoic acid (PubChem CID 23056513) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methylpentanoic acid
PubChem CID23056513
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(methoxymethyl)-2-methylpentanoic acid
SMILESCCCC(C)(COC)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5-8(2,6-11-3)7(9)10/h4-6H2,1-3H3,(H,9,10)
InChIKeyBJQZYQGOAMONRF-UHFFFAOYSA-N
XLogP1.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-(2-carboxy-3-methoxy-2-methylpropyl)peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxymethyl]-3-methoxy-2-methylpropanoic acid
CID 58114775
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
CID 114495188
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 55106871
2-butyl-2-methylhexanoic acid
CID 15930803
4-hydroxy-2-methyl-2-propylhexanoic acid
CID 79425025
1-methoxy-2,2-dimethylpentane
CID 57120820
2-methyl-2-propylnonanedioic acid
CID 160508376
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
CID 82952538
2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentanoic acid
CID 116616869

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methylpentanoic acid?
The IUPAC name of 2-(methoxymethyl)-2-methylpentanoic acid (CID 23056513) is 2-(methoxymethyl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(methoxymethyl)-2-methylpentanoic acid?
The canonical SMILES for 2-(methoxymethyl)-2-methylpentanoic acid is CCCC(C)(COC)C(=O)O.
What is the InChIKey of 2-(methoxymethyl)-2-methylpentanoic acid?
The InChIKey is BJQZYQGOAMONRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5-8(2,6-11-3)7(9)10/h4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-(methoxymethyl)-2-methylpentanoic acid?
2-(methoxymethyl)-2-methylpentanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methylpentanoic acid is sourced from PubChem (CID 23056513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).