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

C10H16O2 — CID 10702258

IUPAC4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)(C)C1(C)O
InChIInChI=1S/C10H16O2/c1-7-5-8(11)6-9(2,3)10(7,4)12/h5,12H,6H2,1-4H3
InChIKeyBZUXIYVOEWZDSQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds

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

4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one (PubChem CID 10702258) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one
PubChem CID10702258
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one
SMILESCC1=CC(=O)CC(C)(C)C1(C)O
InChIInChI=1S/C10H16O2/c1-7-5-8(11)6-9(2,3)10(7,4)12/h5,12H,6H2,1-4H3
InChIKeyBZUXIYVOEWZDSQ-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one (CID 10702258) is 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one is CC1=CC(=O)CC(C)(C)C1(C)O.
What is the InChIKey of 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one?
The InChIKey is BZUXIYVOEWZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-5-8(11)6-9(2,3)10(7,4)12/h5,12H,6H2,1-4H3.
What are the key properties of 4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one?
4-hydroxy-3,4,5,5-tetramethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 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-tetramethylcyclohex-2-en-1-one is sourced from PubChem (CID 10702258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).