6-methyl-4-oxo-2-propan-2-ylheptanoic acid

C11H20O3 — CID 76763066

IUPAC6-methyl-4-oxo-2-propan-2-ylheptanoic acid
SMILESCC(C)CC(=O)CC(C(=O)O)C(C)C
InChIInChI=1S/C11H20O3/c1-7(2)5-9(12)6-10(8(3)4)11(13)14/h7-8,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyKRGUNWNDHHXNRO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds6

About 6-methyl-4-oxo-2-propan-2-ylheptanoic acid

6-methyl-4-oxo-2-propan-2-ylheptanoic acid (PubChem CID 76763066) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-methyl-4-oxo-2-propan-2-ylheptanoic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-2-propan-2-ylheptanoic acid
PubChem CID76763066
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name6-methyl-4-oxo-2-propan-2-ylheptanoic acid
SMILESCC(C)CC(=O)CC(C(=O)O)C(C)C
InChIInChI=1S/C11H20O3/c1-7(2)5-9(12)6-10(8(3)4)11(13)14/h7-8,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyKRGUNWNDHHXNRO-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-4-oxo-2-propan-2-ylheptanoic 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

chloromethane;2,6-dimethylheptan-4-one
CID 174654113
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
2,6-dimethylheptan-4-one;2,2,6-trimethylheptan-4-one
CID 167674911
5-chloro-4-methyl-2-propan-2-ylpent-4-enoic acid
CID 106439369
4,5-dichloro-2-propan-2-ylpent-4-enoic acid
CID 54162996
(2S,4R,5R)-4,5,7-trimethyl-2-propan-2-yloctanoic acid
CID 56628753
2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
1-hydroxy-2,6-dimethylheptan-4-one
CID 157270370
4-(2-hydroxyethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 59180579
3-methylbutanoic acid
CID 20849036
ethane;2-propan-2-ylpentanoic acid
CID 175540570
2,7-dimethyl-5-propan-2-yloctan-4-one
CID 140579631

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-2-propan-2-ylheptanoic acid?
The IUPAC name of 6-methyl-4-oxo-2-propan-2-ylheptanoic acid (CID 76763066) is 6-methyl-4-oxo-2-propan-2-ylheptanoic acid.
What is the SMILES notation for 6-methyl-4-oxo-2-propan-2-ylheptanoic acid?
The canonical SMILES for 6-methyl-4-oxo-2-propan-2-ylheptanoic acid is CC(C)CC(=O)CC(C(=O)O)C(C)C.
What is the InChIKey of 6-methyl-4-oxo-2-propan-2-ylheptanoic acid?
The InChIKey is KRGUNWNDHHXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)5-9(12)6-10(8(3)4)11(13)14/h7-8,10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 6-methyl-4-oxo-2-propan-2-ylheptanoic acid?
6-methyl-4-oxo-2-propan-2-ylheptanoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-2-propan-2-ylheptanoic acid is sourced from PubChem (CID 76763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).