2-ethyl-2-(trimethoxymethyl)decanoic acid

C16H32O5 — CID 150650592

IUPAC2-ethyl-2-(trimethoxymethyl)decanoic acid
SMILESCCCCCCCCC(CC)(C(=O)O)C(OC)(OC)OC
InChIInChI=1S/C16H32O5/c1-6-8-9-10-11-12-13-15(7-2,14(17)18)16(19-3,20-4)21-5/h6-13H2,1-5H3,(H,17,18)
InChIKeyJBUJNAJQUVQWSS-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.81
Rot. Bonds13

About 2-ethyl-2-(trimethoxymethyl)decanoic acid

2-ethyl-2-(trimethoxymethyl)decanoic acid (PubChem CID 150650592) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-ethyl-2-(trimethoxymethyl)decanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(trimethoxymethyl)decanoic acid
PubChem CID150650592
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-ethyl-2-(trimethoxymethyl)decanoic acid
SMILESCCCCCCCCC(CC)(C(=O)O)C(OC)(OC)OC
InChIInChI=1S/C16H32O5/c1-6-8-9-10-11-12-13-15(7-2,14(17)18)16(19-3,20-4)21-5/h6-13H2,1-5H3,(H,17,18)
InChIKeyJBUJNAJQUVQWSS-UHFFFAOYSA-N
XLogP3.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-3-ethyl-3-heptyl-2-methylbutanedioic acid
CID 175458256
3-octadecyl-3-pentadecyl-2,2-di(tetradecyl)henicosanoic acid
CID 87337627
2-ethyl-2-methoxyoctadecanoic acid
CID 174934080
2,2,3,3,4,4-hexadodecyloctadecanoic acid
CID 90043228
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2-heptyl-2-methylpropanedioic acid
CID 89147986
2,2,3-tributyl-3-methyloctanoic acid
CID 141094903
2-hydroxy-3-pentyldodecane-1,2,3-tricarboxylic acid
CID 87241383
2,2-diethylnonadecanoic acid
CID 139750929
2,2-diethyltridecanoic acid
CID 138578067
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(trimethoxymethyl)decanoic acid?
The IUPAC name of 2-ethyl-2-(trimethoxymethyl)decanoic acid (CID 150650592) is 2-ethyl-2-(trimethoxymethyl)decanoic acid.
What is the SMILES notation for 2-ethyl-2-(trimethoxymethyl)decanoic acid?
The canonical SMILES for 2-ethyl-2-(trimethoxymethyl)decanoic acid is CCCCCCCCC(CC)(C(=O)O)C(OC)(OC)OC.
What is the InChIKey of 2-ethyl-2-(trimethoxymethyl)decanoic acid?
The InChIKey is JBUJNAJQUVQWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-6-8-9-10-11-12-13-15(7-2,14(17)18)16(19-3,20-4)21-5/h6-13H2,1-5H3,(H,17,18).
What are the key properties of 2-ethyl-2-(trimethoxymethyl)decanoic acid?
2-ethyl-2-(trimethoxymethyl)decanoic acid has a molecular weight of 304.43 g/mol, XLogP of 3.81, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(trimethoxymethyl)decanoic acid is sourced from PubChem (CID 150650592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).