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

C10H18O3 — CID 67008914

IUPAC4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one
SMILESCC(C)(O)COC1CCC(=O)CC1
InChIInChI=1S/C10H18O3/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h9,12H,3-7H2,1-2H3
InChIKeyRKCDXWGUKLQXOT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.29
Rot. Bonds3

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

4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one (PubChem CID 67008914) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one
PubChem CID67008914
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one
SMILESCC(C)(O)COC1CCC(=O)CC1
InChIInChI=1S/C10H18O3/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h9,12H,3-7H2,1-2H3
InChIKeyRKCDXWGUKLQXOT-UHFFFAOYSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.29
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)cyclohexan-1-one?
The IUPAC name of 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one (CID 67008914) is 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one?
The canonical SMILES for 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one is CC(C)(O)COC1CCC(=O)CC1.
What is the InChIKey of 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one?
The InChIKey is RKCDXWGUKLQXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h9,12H,3-7H2,1-2H3.
What are the key properties of 4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one?
4-(2-hydroxy-2-methylpropoxy)cyclohexan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.29, 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)cyclohexan-1-one is sourced from PubChem (CID 67008914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).