3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one

C14H26O — CID 143738791

IUPAC3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one
SMILESCCC1(CC)C[C@@]1(CC)CC(C)C(C)=O
InChIInChI=1S/C14H26O/c1-6-13(7-2)10-14(13,8-3)9-11(4)12(5)15/h11H,6-10H2,1-5H3/t11?,14-/m1/s1
InChIKeyZNCMMBLIIDYRRG-SBXXRYSUSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds6

About 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one

3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one (PubChem CID 143738791) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one.

Molecular Properties

Compound Name3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one
PubChem CID143738791
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one
SMILESCCC1(CC)C[C@@]1(CC)CC(C)C(C)=O
InChIInChI=1S/C14H26O/c1-6-13(7-2)10-14(13,8-3)9-11(4)12(5)15/h11H,6-10H2,1-5H3/t11?,14-/m1/s1
InChIKeyZNCMMBLIIDYRRG-SBXXRYSUSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one 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

(3S)-3-methyl-4-oxopentanoic acid
CID 12576879
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
ethyl (3R)-3-methyl-4-oxopentanoate
CID 14870757
(3S)-3,5-dimethylhex-5-en-2-one
CID 45085211
5-ethyl-3-methyloctan-2-one
CID 155598738
2-ethyl-3-oxobutanoic acid;tris(propan-2-ol);zirconium
CID 87420924
4-methyl-2,5-dioxohexanal
CID 23590125
4-(aziridin-1-yl)-3-methylbutan-2-one
CID 45085269
3,6,6-trimethylheptane-2,5-dione
CID 58992313
(3R,6S)-3,6,7-trimethyloctane-2,5-dione
CID 144941918
N-methyl-N-(2-methyl-3-oxobutyl)acetamide
CID 130029247
(3R)-3-methyloctan-2-one
CID 158725350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one?
The IUPAC name of 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one (CID 143738791) is 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one.
What is the SMILES notation for 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one?
The canonical SMILES for 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one is CCC1(CC)C[C@@]1(CC)CC(C)C(C)=O.
What is the InChIKey of 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one?
The InChIKey is ZNCMMBLIIDYRRG-SBXXRYSUSA-N. The full InChI is InChI=1S/C14H26O/c1-6-13(7-2)10-14(13,8-3)9-11(4)12(5)15/h11H,6-10H2,1-5H3/t11?,14-/m1/s1.
What are the key properties of 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one?
3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1R)-1,2,2-triethylcyclopropyl]butan-2-one is sourced from PubChem (CID 143738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).