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

C9H14O2 — CID 130029375

IUPAC4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C(C)(C)C1(C)O
InChIInChI=1S/C9H14O2/c1-6-5-7(10)8(2,3)9(6,4)11/h5,11H,1-4H3
InChIKeyAPXGCKGWRXTTND-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds

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

4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one (PubChem CID 130029375) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one
PubChem CID130029375
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)C(C)(C)C1(C)O
InChIInChI=1S/C9H14O2/c1-6-5-7(10)8(2,3)9(6,4)11/h5,11H,1-4H3
InChIKeyAPXGCKGWRXTTND-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-hydroxy-4,6,6-trimethyl-5-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-one
CID 14610402
4-Tert-butyl-3-chloro-4-hydroxycyclopent-2-en-1-one
CID 10954309
(4R)-4-hydroxy-3,4-dimethylcyclopent-2-en-1-one
CID 101489156
2-Cyclohexen-1-one,4-hydroxy-3,5,5-trimethyl-4-(1-methyl-3-oxo-1-butenyl)
CID 5372403
4-Hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one
CID 10702258
4-hydroxy-4-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]cyclopent-2-en-1-one
CID 21578064
4-Ethyl-4-hydroxycyclopent-2-en-1-one
CID 11815359
4-Hydroxy-4-methyl-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
CID 12879872
4-Hydroxy-4-methyl-5-propylcyclopent-2-en-1-one
CID 13036789
5-But-3-enyl-4-hydroxy-4-methylcyclopent-2-en-1-one
CID 13517267
4-Ethyl-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 14759598
5-[(Z)-hex-3-enyl]-4-hydroxy-4-methylcyclopent-2-en-1-one
CID 15702048

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one (CID 130029375) is 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one is CC1=CC(=O)C(C)(C)C1(C)O.
What is the InChIKey of 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one?
The InChIKey is APXGCKGWRXTTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-5-7(10)8(2,3)9(6,4)11/h5,11H,1-4H3.
What are the key properties of 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one?
4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,4,5,5-tetramethylcyclopent-2-en-1-one is sourced from PubChem (CID 130029375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).