trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one

C11H20O2 — CID 130909824

IUPACtrans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@@H]1CC[C@@](C)(CCO)C1=O
InChIInChI=1S/C11H20O2/c1-8(2)9-4-5-11(3,6-7-12)10(9)13/h8-9,12H,4-7H2,1-3H3/t9-,11-/m0/s1
InChIKeyGIWDFXCCOKCMCC-ONGXEEELSA-N
MW184.28 g/mol
LogP2.01
Rot. Bonds3

About trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one

trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one (PubChem CID 130909824) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
PubChem CID130909824
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nametrans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@@H]1CC[C@@](C)(CCO)C1=O
InChIInChI=1S/C11H20O2/c1-8(2)9-4-5-11(3,6-7-12)10(9)13/h8-9,12H,4-7H2,1-3H3/t9-,11-/m0/s1
InChIKeyGIWDFXCCOKCMCC-ONGXEEELSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 71426371
2-(1-methyl-2-methylidene-3-propan-2-ylcyclopentyl)ethanol
CID 14891127
(2S)-2-[(E)-but-2-enyl]-2-methyl-5-propan-2-ylcyclopentan-1-one
CID 45098750
3-(2-hydroxyethyl)-3-methylpyrrolidin-2-one
CID 12682994
cis-(2S,5S)-2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-one
CID 130926086
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
CID 12972800
trans-(2S,5S)-5-methyl-2-propan-2-yl-5-sulfanylcyclohexan-1-one
CID 71587112
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346
[(1R,4R)-1-methyl-3-oxo-4-propan-2-ylcyclohexyl] acetate
CID 162873975
6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
CID 10583057
(1S,3R,6R)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
CID 98079466
(2S,4aR,5S,8R,8aR)-5,8-dihydroxy-4a,8-dimethyl-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one
CID 14864737

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
The IUPAC name of trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one (CID 130909824) is trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
The canonical SMILES for trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one is CC(C)[C@@H]1CC[C@@](C)(CCO)C1=O.
What is the InChIKey of trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
The InChIKey is GIWDFXCCOKCMCC-ONGXEEELSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)9-4-5-11(3,6-7-12)10(9)13/h8-9,12H,4-7H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one?
trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one has a molecular weight of 184.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5S)-2-(2-hydroxyethyl)-2-methyl-5-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 130909824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).