5-(methoxymethyl)-2,2,3-trimethylundecanoic acid

C16H32O3 — CID 139489940

IUPAC5-(methoxymethyl)-2,2,3-trimethylundecanoic acid
SMILESCCCCCCC(COC)CC(C)C(C)(C)C(=O)O
InChIInChI=1S/C16H32O3/c1-6-7-8-9-10-14(12-19-5)11-13(2)16(3,4)15(17)18/h13-14H,6-12H2,1-5H3,(H,17,18)
InChIKeyXDQSAFKRQRIPAM-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.36
Rot. Bonds11

About 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid

5-(methoxymethyl)-2,2,3-trimethylundecanoic acid (PubChem CID 139489940) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid.

Molecular Properties

Compound Name5-(methoxymethyl)-2,2,3-trimethylundecanoic acid
PubChem CID139489940
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name5-(methoxymethyl)-2,2,3-trimethylundecanoic acid
SMILESCCCCCCC(COC)CC(C)C(C)(C)C(=O)O
InChIInChI=1S/C16H32O3/c1-6-7-8-9-10-14(12-19-5)11-13(2)16(3,4)15(17)18/h13-14H,6-12H2,1-5H3,(H,17,18)
InChIKeyXDQSAFKRQRIPAM-UHFFFAOYSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-heptyl-2,2,3,5-tetramethyloctadecanoic acid
CID 175402032
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
19-(methoxymethyl)heptatriacontane
CID 59499210
5-(methoxymethyl)decane
CID 123387036
azane;3-decyl-2,2-dimethyltridecanoic acid
CID 175058079
(3S)-3-hydroxy-2,2-dimethyldecanoic acid
CID 11413287
methyl 2,2,3-trimethylhexadecanoate
CID 87793421
1-methoxy-2-methyldecane
CID 13444249
2-octyldodecyl hydrogen carbonate
CID 89413986
2-decyl-4-hexyldodecanoic acid
CID 23195131
dimethyl 2-decan-2-yl-2-methylpropanedioate
CID 139764919
4-butyl-2-octyldecanoic acid
CID 87603205

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid?
The IUPAC name of 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid (CID 139489940) is 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid.
What is the SMILES notation for 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid?
The canonical SMILES for 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid is CCCCCCC(COC)CC(C)C(C)(C)C(=O)O.
What is the InChIKey of 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid?
The InChIKey is XDQSAFKRQRIPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-6-7-8-9-10-14(12-19-5)11-13(2)16(3,4)15(17)18/h13-14H,6-12H2,1-5H3,(H,17,18).
What are the key properties of 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid?
5-(methoxymethyl)-2,2,3-trimethylundecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2,2,3-trimethylundecanoic acid is sourced from PubChem (CID 139489940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).