trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one

C11H20O2 — CID 15348632

IUPACtrans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one
SMILESCOCC[C@H]1C[C@@H](C)C(=O)C1(C)C
InChIInChI=1S/C11H20O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyYBICWKKWQLLMPZ-BDAKNGLRSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds3

About trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one

trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one (PubChem CID 15348632) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one
PubChem CID15348632
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nametrans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one
SMILESCOCC[C@H]1C[C@@H](C)C(=O)C1(C)C
InChIInChI=1S/C11H20O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyYBICWKKWQLLMPZ-BDAKNGLRSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one?
The IUPAC name of trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one (CID 15348632) is trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one.
What is the SMILES notation for trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one?
The canonical SMILES for trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one is COCC[C@H]1C[C@@H](C)C(=O)C1(C)C.
What is the InChIKey of trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one?
The InChIKey is YBICWKKWQLLMPZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one?
trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,5R)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-one is sourced from PubChem (CID 15348632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).