4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

C10H18O2 — CID 525916

IUPAC4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CC(O)C(C)CC1=O
InChIInChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-9,11H,4-5H2,1-3H3
InChIKeyNCNOFEZLRJLBDH-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.62
Rot. Bonds1

About 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one

4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (PubChem CID 525916) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
PubChem CID525916
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CC(O)C(C)CC1=O
InChIInChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-9,11H,4-5H2,1-3H3
InChIKeyNCNOFEZLRJLBDH-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The IUPAC name of 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one (CID 525916) is 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is CC(C)C1CC(O)C(C)CC1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
The InChIKey is NCNOFEZLRJLBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one?
4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 525916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).