2-nonan-5-ylhexanedioic acid

C15H28O4 — CID 19830332

IUPAC2-nonan-5-ylhexanedioic acid
SMILESCCCCC(CCCC)C(CCCC(=O)O)C(=O)O
InChIInChI=1S/C15H28O4/c1-3-5-8-12(9-6-4-2)13(15(18)19)10-7-11-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJORDEGQYENSHPM-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.94
Rot. Bonds12

About 2-nonan-5-ylhexanedioic acid

2-nonan-5-ylhexanedioic acid (PubChem CID 19830332) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-nonan-5-ylhexanedioic acid.

Molecular Properties

Compound Name2-nonan-5-ylhexanedioic acid
PubChem CID19830332
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-nonan-5-ylhexanedioic acid
SMILESCCCCC(CCCC)C(CCCC(=O)O)C(=O)O
InChIInChI=1S/C15H28O4/c1-3-5-8-12(9-6-4-2)13(15(18)19)10-7-11-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyJORDEGQYENSHPM-UHFFFAOYSA-N
XLogP3.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-icosan-9-ylhexadecanoic acid
CID 87113563
2-octadecan-9-ylhexadecanoic acid
CID 87963385
2-decyl-3-hexyldodecanoic acid
CID 23064818
2-octadecan-7-ylhexadecanoic acid
CID 57023250
3-hexadecyl-2-tetradecylicosanoic acid
CID 87374965
2-(5,9-diethyltridecan-7-yl)tetradecanedioic acid
CID 87116284
2-icosan-2-ylhexanedioic acid
CID 87918872
9-hydroxy-2,16-di(pentadecan-8-yl)heptadecanedioic acid
CID 172740616
2-(6-bromohexyl)-3-octylundecanoic acid
CID 172859038
2,3-bis(3-methylbutyl)decanedioic acid
CID 174750706
2,3-bis(3-methylbutyl)nonanedioic acid
CID 174876794
hexane-1,2,3,6-tetracarboxylic acid
CID 57214817

Frequently Asked Questions

What is the IUPAC name of 2-nonan-5-ylhexanedioic acid?
The IUPAC name of 2-nonan-5-ylhexanedioic acid (CID 19830332) is 2-nonan-5-ylhexanedioic acid.
What is the SMILES notation for 2-nonan-5-ylhexanedioic acid?
The canonical SMILES for 2-nonan-5-ylhexanedioic acid is CCCCC(CCCC)C(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-nonan-5-ylhexanedioic acid?
The InChIKey is JORDEGQYENSHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-5-8-12(9-6-4-2)13(15(18)19)10-7-11-14(16)17/h12-13H,3-11H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-nonan-5-ylhexanedioic acid?
2-nonan-5-ylhexanedioic acid has a molecular weight of 272.38 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-5-ylhexanedioic acid is sourced from PubChem (CID 19830332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).