2-ethyl-6-propylheptanedioic acid

C12H22O4 — CID 154140899

IUPAC2-ethyl-6-propylheptanedioic acid
SMILESCCCC(CCCC(CC)C(=O)O)C(=O)O
InChIInChI=1S/C12H22O4/c1-3-6-10(12(15)16)8-5-7-9(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySHAACOBYGJVPRK-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.77
Rot. Bonds9

About 2-ethyl-6-propylheptanedioic acid

2-ethyl-6-propylheptanedioic acid (PubChem CID 154140899) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-ethyl-6-propylheptanedioic acid.

Molecular Properties

Compound Name2-ethyl-6-propylheptanedioic acid
PubChem CID154140899
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-ethyl-6-propylheptanedioic acid
SMILESCCCC(CCCC(CC)C(=O)O)C(=O)O
InChIInChI=1S/C12H22O4/c1-3-6-10(12(15)16)8-5-7-9(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)
InChIKeySHAACOBYGJVPRK-UHFFFAOYSA-N
XLogP2.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-6-propylheptanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-ethylhexanoic acid;palladium(2+)
CID 18629949
phosphane;2-propylhexanoic acid
CID 87429538
2-ethylhexanoic acid;niobium
CID 87060397
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
copper 2-ethylhexanoic acid
CID 54604905
λ2-stannane;2-propylhexanoic acid
CID 174232814
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
2-ethylhexanoic acid;hexadecane
CID 174408772

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propylheptanedioic acid?
The IUPAC name of 2-ethyl-6-propylheptanedioic acid (CID 154140899) is 2-ethyl-6-propylheptanedioic acid.
What is the SMILES notation for 2-ethyl-6-propylheptanedioic acid?
The canonical SMILES for 2-ethyl-6-propylheptanedioic acid is CCCC(CCCC(CC)C(=O)O)C(=O)O.
What is the InChIKey of 2-ethyl-6-propylheptanedioic acid?
The InChIKey is SHAACOBYGJVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-6-10(12(15)16)8-5-7-9(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-ethyl-6-propylheptanedioic acid?
2-ethyl-6-propylheptanedioic acid has a molecular weight of 230.30 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propylheptanedioic acid is sourced from PubChem (CID 154140899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).