(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one

C8H12O2 — CID 14160091

IUPAC(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one
SMILESC[C@@H]1C=CC(=O)[C@@H]1CCO
InChIInChI=1S/C8H12O2/c1-6-2-3-8(10)7(6)4-5-9/h2-3,6-7,9H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyYBCSJKIVJGJXBU-RNFRBKRXSA-N
MW140.18 g/mol
LogP0.76
Rot. Bonds2

About (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one

(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one (PubChem CID 14160091) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one
PubChem CID14160091
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one
SMILESC[C@@H]1C=CC(=O)[C@@H]1CCO
InChIInChI=1S/C8H12O2/c1-6-2-3-8(10)7(6)4-5-9/h2-3,6-7,9H,4-5H2,1H3/t6-,7-/m1/s1
InChIKeyYBCSJKIVJGJXBU-RNFRBKRXSA-N
XLogP0.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-5-(2-hydroxyethyl)-4-(hydroxymethyl)-3-methylcyclopent-2-en-1-one
CID 101910086
(E,5S)-11-hydroxy-5-propan-2-ylundec-6-ene-2,8-dione
CID 139591537
11-Hydroxy-5-propan-2-ylundec-6-ene-2,8-dione
CID 163099668
5-Hydroxymethyl-2-cyclohexenone
CID 13073151
4-Hydroxymethylcyclopent-2-en-1-one
CID 58869796
4-(Hydroxymethyl)-2-methylcyclopent-2-en-1-one
CID 91126189
1-[(1S,2R)-2-(hydroxymethyl)-3-methylcyclopent-3-en-1-yl]ethanone
CID 134969127
4-(Hydroxymethyl)-3-methoxy-5-methylcyclopent-2-enone
CID 130877534
(4R,5S)-4-hydroxy-5-propan-2-ylcyclopent-2-en-1-one
CID 10441783
(4S,5R)-4-hydroxy-5-propan-2-ylcyclopent-2-en-1-one
CID 124417525
4-(Hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one
CID 130150786
(4R,5S)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one
CID 130949692

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one?
The IUPAC name of (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one (CID 14160091) is (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one?
The canonical SMILES for (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one is C[C@@H]1C=CC(=O)[C@@H]1CCO.
What is the InChIKey of (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one?
The InChIKey is YBCSJKIVJGJXBU-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-2-3-8(10)7(6)4-5-9/h2-3,6-7,9H,4-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one?
(4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(2-hydroxyethyl)-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 14160091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).