6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid

C13H24O6 — CID 121241193

IUPAC6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
SMILESCOCC(C)(COC)C(=O)OCCCCCC(=O)O
InChIInChI=1S/C13H24O6/c1-13(9-17-2,10-18-3)12(16)19-8-6-4-5-7-11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeySAMDVIVAUDVMMG-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.47
Rot. Bonds11

About 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid

6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid (PubChem CID 121241193) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid.

Molecular Properties

Compound Name6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
PubChem CID121241193
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
SMILESCOCC(C)(COC)C(=O)OCCCCCC(=O)O
InChIInChI=1S/C13H24O6/c1-13(9-17-2,10-18-3)12(16)19-8-6-4-5-7-11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeySAMDVIVAUDVMMG-UHFFFAOYSA-N
XLogP1.47
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

13-acetyloxytridecanoic acid
CID 10084643
22-acetyloxydocosanoic acid
CID 91481566
2-[bis(2-methoxyethyl)amino]acetic acid;4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid;7-[bis(2-methoxyethyl)amino]-7-oxoheptanoic acid;6-[bis(2-methoxyethyl)amino]-6-oxohexanoic acid;5-[bis(2-methoxyethyl)amino]-5-oxopentanoic acid;3-[bis(2-methoxyethyl)amino]propanoic acid;2-[[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]amino]acetic acid;2-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyacetic acid;6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid
CID 160947529
5-acetyloxypentanoic acid
CID 12642003
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
CID 118000170
7-methylperoxyheptanoic acid
CID 156663911
12-heptoxycarbonyloxydodecanoic acid
CID 57225474
8-bromooctanoic acid;8-methoxyoctanoic acid
CID 159933343
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
19-aminooxynonadecanoic acid
CID 145081852

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
The IUPAC name of 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid (CID 121241193) is 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid.
What is the SMILES notation for 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
The canonical SMILES for 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid is COCC(C)(COC)C(=O)OCCCCCC(=O)O.
What is the InChIKey of 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
The InChIKey is SAMDVIVAUDVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-13(9-17-2,10-18-3)12(16)19-8-6-4-5-7-11(14)15/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid?
6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid has a molecular weight of 276.33 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-2-(methoxymethyl)-2-methylpropanoyl]oxyhexanoic acid is sourced from PubChem (CID 121241193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).