2-ethyl-2-phenyldecanedioic acid

C18H26O4 — CID 159619008

IUPAC2-ethyl-2-phenyldecanedioic acid
SMILESCCC(CCCCCCCC(=O)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H26O4/c1-2-18(17(21)22,15-11-7-6-8-12-15)14-10-5-3-4-9-13-16(19)20/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,19,20)(H,21,22)
InChIKeyMNQPOABJNDCALM-UHFFFAOYSA-N
MW306.40 g/mol
LogP4.23
Rot. Bonds11

About 2-ethyl-2-phenyldecanedioic acid

2-ethyl-2-phenyldecanedioic acid (PubChem CID 159619008) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-ethyl-2-phenyldecanedioic acid.

Molecular Properties

Compound Name2-ethyl-2-phenyldecanedioic acid
PubChem CID159619008
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-ethyl-2-phenyldecanedioic acid
SMILESCCC(CCCCCCCC(=O)O)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H26O4/c1-2-18(17(21)22,15-11-7-6-8-12-15)14-10-5-3-4-9-13-16(19)20/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,19,20)(H,21,22)
InChIKeyMNQPOABJNDCALM-UHFFFAOYSA-N
XLogP4.23
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.23
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-butyl-2-phenylpentanedioic acid
CID 67892428
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
phosphane;6,6,6-triphenylhexanoic acid
CID 175595654
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
CID 79426124
8-[(2-chlorophenyl)methyl]-9-oxo-8-phenyldecanoic acid
CID 154097298
(3-carboxy-3-phenylpentyl)-methylazanium
CID 143227048
2-(2-oxoethyl)-2-phenyltetradecanoic acid
CID 175108825
4-[(2-ethyl-2-phenylbutanoyl)-methylamino]butanoic acid
CID 119173353
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
4-ethyl-4-phenylhexan-3-one
CID 63083231
octadecanoic acid;2-phenylpropan-2-amine;hydrochloride
CID 175449619
hexadecanoic acid;4-[(4-hydroxyphenyl)-diphenylmethyl]phenol
CID 159142492

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-phenyldecanedioic acid?
The IUPAC name of 2-ethyl-2-phenyldecanedioic acid (CID 159619008) is 2-ethyl-2-phenyldecanedioic acid.
What is the SMILES notation for 2-ethyl-2-phenyldecanedioic acid?
The canonical SMILES for 2-ethyl-2-phenyldecanedioic acid is CCC(CCCCCCCC(=O)O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-ethyl-2-phenyldecanedioic acid?
The InChIKey is MNQPOABJNDCALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-2-18(17(21)22,15-11-7-6-8-12-15)14-10-5-3-4-9-13-16(19)20/h6-8,11-12H,2-5,9-10,13-14H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-2-phenyldecanedioic acid?
2-ethyl-2-phenyldecanedioic acid has a molecular weight of 306.40 g/mol, XLogP of 4.23, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-phenyldecanedioic acid is sourced from PubChem (CID 159619008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).