4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one

C10H16O2 — CID 141486234

IUPAC4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CC(O)(C(C)C)CCC1=O
InChIInChI=1S/C10H16O2/c1-7(2)10(12)5-4-9(11)8(3)6-10/h6-7,12H,4-5H2,1-3H3
InChIKeyJNZYTDZPBMYUJF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

About 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one

4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one (PubChem CID 141486234) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one
PubChem CID141486234
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CC(O)(C(C)C)CCC1=O
InChIInChI=1S/C10H16O2/c1-7(2)10(12)5-4-9(11)8(3)6-10/h6-7,12H,4-5H2,1-3H3
InChIKeyJNZYTDZPBMYUJF-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-2-methyl-4-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one (CID 141486234) is 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one is CC1=CC(O)(C(C)C)CCC1=O.
What is the InChIKey of 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is JNZYTDZPBMYUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)10(12)5-4-9(11)8(3)6-10/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one?
4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-4-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 141486234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).