2,2,5,5-tetraethylhexanedioic acid

C14H26O4 — CID 19090996

IUPAC2,2,5,5-tetraethylhexanedioic acid
SMILESCCC(CC)(CCC(CC)(CC)C(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-5-13(6-2,11(15)16)9-10-14(7-3,8-4)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBWBOGFZTAUZLAP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.55
Rot. Bonds9

About 2,2,5,5-tetraethylhexanedioic acid

2,2,5,5-tetraethylhexanedioic acid (PubChem CID 19090996) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,2,5,5-tetraethylhexanedioic acid.

Molecular Properties

Compound Name2,2,5,5-tetraethylhexanedioic acid
PubChem CID19090996
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2,2,5,5-tetraethylhexanedioic acid
SMILESCCC(CC)(CCC(CC)(CC)C(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-5-13(6-2,11(15)16)9-10-14(7-3,8-4)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBWBOGFZTAUZLAP-UHFFFAOYSA-N
XLogP3.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 26840
CID 26840
CID 208925
CID 208925
CID 123929
CID 123929
CID 32912
CID 32912
CID 21672
CID 21672
CID 61840
CID 61840
CID 25099817
CID 25099817
CID 151014
CID 151014
CID 62003
CID 62003
CID 62089
CID 62089
CID 21813
CID 21813
CID 62817
CID 62817

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetraethylhexanedioic acid?
The IUPAC name of 2,2,5,5-tetraethylhexanedioic acid (CID 19090996) is 2,2,5,5-tetraethylhexanedioic acid.
What is the SMILES notation for 2,2,5,5-tetraethylhexanedioic acid?
The canonical SMILES for 2,2,5,5-tetraethylhexanedioic acid is CCC(CC)(CCC(CC)(CC)C(=O)O)C(=O)O.
What is the InChIKey of 2,2,5,5-tetraethylhexanedioic acid?
The InChIKey is BWBOGFZTAUZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-13(6-2,11(15)16)9-10-14(7-3,8-4)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2,2,5,5-tetraethylhexanedioic acid?
2,2,5,5-tetraethylhexanedioic acid has a molecular weight of 258.36 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetraethylhexanedioic acid is sourced from PubChem (CID 19090996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).