2-(2-methylbutan-2-yloxycarbonyl)decanoic acid

C16H30O4 — CID 171781427

IUPAC2-(2-methylbutan-2-yloxycarbonyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)C(=O)OC(C)(C)CC
InChIInChI=1S/C16H30O4/c1-5-7-8-9-10-11-12-13(14(17)18)15(19)20-16(3,4)6-2/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyWBPUJVUBPHZWLF-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.17
Rot. Bonds11

About 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid

2-(2-methylbutan-2-yloxycarbonyl)decanoic acid (PubChem CID 171781427) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxycarbonyl)decanoic acid
PubChem CID171781427
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-(2-methylbutan-2-yloxycarbonyl)decanoic acid
SMILESCCCCCCCCC(C(=O)O)C(=O)OC(C)(C)CC
InChIInChI=1S/C16H30O4/c1-5-7-8-9-10-11-12-13(14(17)18)15(19)20-16(3,4)6-2/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyWBPUJVUBPHZWLF-UHFFFAOYSA-N
XLogP4.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl]icosanoic acid
CID 177254544
2-aminooxycarbonyltridecanoic acid
CID 118615071
3-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxododecanoic acid
CID 175843062
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
CID 87496644
2-carbamoylhexadecanoic acid
CID 172818471
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
(2S)-2-octyl-3-oxododecanoic acid
CID 154046678
3-oxo-2-tetradecylheptadecanoic acid
CID 54574565

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid?
The IUPAC name of 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid (CID 171781427) is 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid.
What is the SMILES notation for 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid?
The canonical SMILES for 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid is CCCCCCCCC(C(=O)O)C(=O)OC(C)(C)CC.
What is the InChIKey of 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid?
The InChIKey is WBPUJVUBPHZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-5-7-8-9-10-11-12-13(14(17)18)15(19)20-16(3,4)6-2/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid?
2-(2-methylbutan-2-yloxycarbonyl)decanoic acid has a molecular weight of 286.41 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxycarbonyl)decanoic acid is sourced from PubChem (CID 171781427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).