2-butyl-2-phenylpentanedioic acid

C15H20O4 — CID 67892428

IUPAC2-butyl-2-phenylpentanedioic acid
SMILESCCCCC(CCC(=O)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20O4/c1-2-3-10-15(14(18)19,11-9-13(16)17)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyXXCAZQMBAYBGBZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds8

About 2-butyl-2-phenylpentanedioic acid

2-butyl-2-phenylpentanedioic acid (PubChem CID 67892428) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-butyl-2-phenylpentanedioic acid.

Molecular Properties

Compound Name2-butyl-2-phenylpentanedioic acid
PubChem CID67892428
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-butyl-2-phenylpentanedioic acid
SMILESCCCCC(CCC(=O)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20O4/c1-2-3-10-15(14(18)19,11-9-13(16)17)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyXXCAZQMBAYBGBZ-UHFFFAOYSA-N
XLogP3.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-phenyldecanedioic acid
CID 159619008
3-butyl-3-phenylheptan-2-one
CID 11776692
2-[2-(4-carboxyoctan-4-yl)phenyl]-2-propylhexanoic acid
CID 158765235
2-(2-oxoethyl)-2-phenyltetradecanoic acid
CID 175108825
calcium;hydride;2-methyl-2-phenylhexanoic acid
CID 175225013
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2,2,3,3-tetraphenylheptanoic acid
CID 151752478
3-hydroxy-3-phenylheptanamide
CID 11253019
2-butyl-2-(2-hydroxyphenyl)heptanoic acid
CID 87233562
4-[2-[4-[3-(2-carboxyethyl)-2-methyl-3-phenylpentadecan-2-yl]phenyl]propan-2-yl]-4-phenylhexadecanoic acid
CID 126649811
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
3,3-diphenylhexanedioic acid
CID 10469968

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-phenylpentanedioic acid?
The IUPAC name of 2-butyl-2-phenylpentanedioic acid (CID 67892428) is 2-butyl-2-phenylpentanedioic acid.
What is the SMILES notation for 2-butyl-2-phenylpentanedioic acid?
The canonical SMILES for 2-butyl-2-phenylpentanedioic acid is CCCCC(CCC(=O)O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-butyl-2-phenylpentanedioic acid?
The InChIKey is XXCAZQMBAYBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-2-3-10-15(14(18)19,11-9-13(16)17)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-butyl-2-phenylpentanedioic acid?
2-butyl-2-phenylpentanedioic acid has a molecular weight of 264.32 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-phenylpentanedioic acid is sourced from PubChem (CID 67892428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).