5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C10H14O2 — CID 24974693

IUPAC5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1(O)CC=C(C)C(=O)C1
InChIInChI=1S/C10H14O2/c1-7(2)10(12)5-4-8(3)9(11)6-10/h4,12H,1,5-6H2,2-3H3
InChIKeyFTZJTMSBSVYHJL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds1

About 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 24974693) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID24974693
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1(O)CC=C(C)C(=O)C1
InChIInChI=1S/C10H14O2/c1-7(2)10(12)5-4-8(3)9(11)6-10/h4,12H,1,5-6H2,2-3H3
InChIKeyFTZJTMSBSVYHJL-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 24974693) is 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1(O)CC=C(C)C(=O)C1.
What is the InChIKey of 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is FTZJTMSBSVYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)10(12)5-4-8(3)9(11)6-10/h4,12H,1,5-6H2,2-3H3.
What are the key properties of 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 24974693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).