trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one

C11H20O3 — CID 10655653

IUPACtrans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one
SMILESCO[C@@]1(C)C(=O)CC[C@@H]1OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9-7-6-8(12)11(9,4)13-5/h9H,6-7H2,1-5H3/t9-,11-/m0/s1
InChIKeyFKNBHUVOGXBOTM-ONGXEEELSA-N
MW200.28 g/mol
LogP1.94
Rot. Bonds2

About trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one

trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one (PubChem CID 10655653) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one
PubChem CID10655653
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametrans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one
SMILESCO[C@@]1(C)C(=O)CC[C@@H]1OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-10(2,3)14-9-7-6-8(12)11(9,4)13-5/h9H,6-7H2,1-5H3/t9-,11-/m0/s1
InChIKeyFKNBHUVOGXBOTM-ONGXEEELSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one?
The IUPAC name of trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one (CID 10655653) is trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one.
What is the SMILES notation for trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one?
The canonical SMILES for trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one is CO[C@@]1(C)C(=O)CC[C@@H]1OC(C)(C)C.
What is the InChIKey of trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one?
The InChIKey is FKNBHUVOGXBOTM-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,3)14-9-7-6-8(12)11(9,4)13-5/h9H,6-7H2,1-5H3/t9-,11-/m0/s1.
What are the key properties of trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one?
trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-2-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]cyclopentan-1-one is sourced from PubChem (CID 10655653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).