2-tert-butyl-8-ethylnonanedioic acid

C15H28O4 — CID 175160152

IUPAC2-tert-butyl-8-ethylnonanedioic acid
SMILESCCC(CCCCCC(C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H28O4/c1-5-11(13(16)17)9-7-6-8-10-12(14(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDCFPMAMVIOPABB-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.79
Rot. Bonds9

About 2-tert-butyl-8-ethylnonanedioic acid

2-tert-butyl-8-ethylnonanedioic acid (PubChem CID 175160152) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-tert-butyl-8-ethylnonanedioic acid.

Molecular Properties

Compound Name2-tert-butyl-8-ethylnonanedioic acid
PubChem CID175160152
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-tert-butyl-8-ethylnonanedioic acid
SMILESCCC(CCCCCC(C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C15H28O4/c1-5-11(13(16)17)9-7-6-8-10-12(14(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDCFPMAMVIOPABB-UHFFFAOYSA-N
XLogP3.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,7-diethyl-8,8-dimethylnonanoic acid
CID 175153792
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
2-tert-butyl-11-iodoundecanoic acid
CID 88526895
2-tert-butylicosanedioic acid
CID 138542827
2-ethylhexadecanedioic acid
CID 88785674
2-ethylhexanoic acid;hexadecane
CID 174408772
2-ethyl-12-(hydroxyamino)-12-oxododecanoic acid
CID 87575529
2-ethylnonanoic acid;2,2,2-trifluoroacetic acid
CID 175106735
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
2-tert-butyl-6-(methylamino)hexanoic acid
CID 87524878
2,9-diethyltetradecanoic acid
CID 174910450

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-ethylnonanedioic acid?
The IUPAC name of 2-tert-butyl-8-ethylnonanedioic acid (CID 175160152) is 2-tert-butyl-8-ethylnonanedioic acid.
What is the SMILES notation for 2-tert-butyl-8-ethylnonanedioic acid?
The canonical SMILES for 2-tert-butyl-8-ethylnonanedioic acid is CCC(CCCCCC(C(=O)O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-tert-butyl-8-ethylnonanedioic acid?
The InChIKey is DCFPMAMVIOPABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-5-11(13(16)17)9-7-6-8-10-12(14(18)19)15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-tert-butyl-8-ethylnonanedioic acid?
2-tert-butyl-8-ethylnonanedioic acid has a molecular weight of 272.38 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-ethylnonanedioic acid is sourced from PubChem (CID 175160152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).