2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one

C8H12O2 — CID 528707

IUPAC2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C(C)C1C
InChIInChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3
InChIKeyRMXYMRMUZJILGN-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.67
Rot. Bonds

About 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one

2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one (PubChem CID 528707) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
PubChem CID528707
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C(C)C1C
InChIInChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3
InChIKeyRMXYMRMUZJILGN-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-3-methyl-2-cyclopenten-1-one
CID 6660
2-Hydroxypiperitone
CID 79023
2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-
CID 528698
5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one
CID 65427
2-Hydroxy-3,4-dimethyl-2-cyclopenten-1-one
CID 89539
2-Hydroxy-3-methylcyclopent-2-enone hydrate
CID 45048929
4-Ethyl-2-hydroxy-3-methyl-2-cyclopenten-1-one
CID 528704
3,4,4-Trimethyl-1,2-cyclopentanedione
CID 6428785
4-Ethyl-2-hydroxycyclopent-2-en-1-one
CID 566236
(6R)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 12095090
2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one
CID 89538
(6S)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 12095091

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one?
The IUPAC name of 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one (CID 528707) is 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one?
The canonical SMILES for 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one is CC1=C(O)C(=O)C(C)C1C.
What is the InChIKey of 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one?
The InChIKey is RMXYMRMUZJILGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-5(2)7(9)8(10)6(4)3/h4-5,10H,1-3H3.
What are the key properties of 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one?
2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4,5-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 528707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).