2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one

C12H20O2 — CID 10607936

IUPAC2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one
SMILESCC(C)=CC(O)C1CCCC(C)C1=O
InChIInChI=1S/C12H20O2/c1-8(2)7-11(13)10-6-4-5-9(3)12(10)14/h7,9-11,13H,4-6H2,1-3H3
InChIKeyGGBSFTQKXIWOSY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.32
Rot. Bonds2

About 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one

2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one (PubChem CID 10607936) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one
PubChem CID10607936
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one
SMILESCC(C)=CC(O)C1CCCC(C)C1=O
InChIInChI=1S/C12H20O2/c1-8(2)7-11(13)10-6-4-5-9(3)12(10)14/h7,9-11,13H,4-6H2,1-3H3
InChIKeyGGBSFTQKXIWOSY-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.32
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 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one?
The IUPAC name of 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one (CID 10607936) is 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one.
What is the SMILES notation for 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one?
The canonical SMILES for 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one is CC(C)=CC(O)C1CCCC(C)C1=O.
What is the InChIKey of 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one?
The InChIKey is GGBSFTQKXIWOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)7-11(13)10-6-4-5-9(3)12(10)14/h7,9-11,13H,4-6H2,1-3H3.
What are the key properties of 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one?
2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methylbut-2-enyl)-6-methylcyclohexan-1-one is sourced from PubChem (CID 10607936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).