2,5-dimethyl-2,5-dipropylhexanedioic acid

C14H26O4 — CID 19091021

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

About 2,5-dimethyl-2,5-dipropylhexanedioic acid

2,5-dimethyl-2,5-dipropylhexanedioic acid (PubChem CID 19091021) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-dipropylhexanedioic acid.

Molecular Properties

Compound Name2,5-dimethyl-2,5-dipropylhexanedioic acid
PubChem CID19091021
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name2,5-dimethyl-2,5-dipropylhexanedioic acid
SMILESCCCC(C)(CCC(C)(CCC)C(=O)O)C(=O)O
InChIInChI=1S/C14H26O4/c1-5-7-13(3,11(15)16)9-10-14(4,8-6-2)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyANKKNABXXQLIJE-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-dipropylhexanedioic acid?
The IUPAC name of 2,5-dimethyl-2,5-dipropylhexanedioic acid (CID 19091021) is 2,5-dimethyl-2,5-dipropylhexanedioic acid.
What is the SMILES notation for 2,5-dimethyl-2,5-dipropylhexanedioic acid?
The canonical SMILES for 2,5-dimethyl-2,5-dipropylhexanedioic acid is CCCC(C)(CCC(C)(CCC)C(=O)O)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2,5-dipropylhexanedioic acid?
The InChIKey is ANKKNABXXQLIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-7-13(3,11(15)16)9-10-14(4,8-6-2)12(17)18/h5-10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2,5-dimethyl-2,5-dipropylhexanedioic acid?
2,5-dimethyl-2,5-dipropylhexanedioic 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 2,5-dimethyl-2,5-dipropylhexanedioic acid is sourced from PubChem (CID 19091021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).