4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one

C11H20O3 — CID 67009890

IUPAC4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one
SMILESCC(C)(O)COC1(C)CCC(=O)CC1
InChIInChI=1S/C11H20O3/c1-10(2,13)8-14-11(3)6-4-9(12)5-7-11/h13H,4-8H2,1-3H3
InChIKeyDYQKNXWDHGBUTK-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.68
Rot. Bonds3

About 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one

4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one (PubChem CID 67009890) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one
PubChem CID67009890
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one
SMILESCC(C)(O)COC1(C)CCC(=O)CC1
InChIInChI=1S/C11H20O3/c1-10(2,13)8-14-11(3)6-4-9(12)5-7-11/h13H,4-8H2,1-3H3
InChIKeyDYQKNXWDHGBUTK-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one?
The IUPAC name of 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one (CID 67009890) is 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one?
The canonical SMILES for 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one is CC(C)(O)COC1(C)CCC(=O)CC1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one?
The InChIKey is DYQKNXWDHGBUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(2,13)8-14-11(3)6-4-9(12)5-7-11/h13H,4-8H2,1-3H3.
What are the key properties of 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one?
4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methylpropoxy)-4-methylcyclohexan-1-one is sourced from PubChem (CID 67009890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).