(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one

C8H14O2 — CID 130993525

IUPAC(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
SMILESCO[C@@H]1C(=O)C[C@@H](C)[C@H]1C
InChIInChI=1S/C8H14O2/c1-5-4-7(9)8(10-3)6(5)2/h5-6,8H,4H2,1-3H3/t5-,6-,8+/m1/s1
InChIKeyUHFIBDIXQNDVPA-JKMUOGBPSA-N
MW142.20 g/mol
LogP1.25
Rot. Bonds1

About (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one

(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one (PubChem CID 130993525) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
PubChem CID130993525
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one
SMILESCO[C@@H]1C(=O)C[C@@H](C)[C@H]1C
InChIInChI=1S/C8H14O2/c1-5-4-7(9)8(10-3)6(5)2/h5-6,8H,4H2,1-3H3/t5-,6-,8+/m1/s1
InChIKeyUHFIBDIXQNDVPA-JKMUOGBPSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-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

2-methoxy-3-(2-methylcyclohexyl)oxycyclobutan-1-one
CID 104673383
(1S,3aR,7aR)-1-methoxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
CID 15724631
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
3,4-dimethoxycyclobutane-1,2-dione
CID 52953770
3-cyclopentyloxy-2-methoxycyclobutan-1-one
CID 104673374
5-methoxy-2,2,6-trimethylcyclohexane-1,4-dione
CID 91578160
(2S,5S,6S)-6-methoxy-5-methyl-2-propan-2-yloxan-3-one
CID 11063134
(1R,2S,3S,6R,7S,9R,13S,14R,15S,17S)-3-hydroxy-15-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecane-4,11,16-trione
CID 15162095
5-hydroxy-4-methoxy-6-methyloxan-2-one
CID 18534399
(3S,4S)-3-methoxy-4-methylazetidin-2-one
CID 55302503
(2S,3S,6R)-6-methoxy-3-(methoxymethoxy)-2-methyloxan-4-one
CID 91801309

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one?
The IUPAC name of (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one (CID 130993525) is (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one.
What is the SMILES notation for (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one?
The canonical SMILES for (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one is CO[C@@H]1C(=O)C[C@@H](C)[C@H]1C.
What is the InChIKey of (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one?
The InChIKey is UHFIBDIXQNDVPA-JKMUOGBPSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-4-7(9)8(10-3)6(5)2/h5-6,8H,4H2,1-3H3/t5-,6-,8+/m1/s1.
What are the key properties of (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one?
(2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-methoxy-3,4-dimethylcyclopentan-1-one is sourced from PubChem (CID 130993525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).