4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one

C11H18O4 — CID 123986923

IUPAC4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one
SMILESO=C1CCC(O)(COC2CCOC2)CC1
InChIInChI=1S/C11H18O4/c12-9-1-4-11(13,5-2-9)8-15-10-3-6-14-7-10/h10,13H,1-8H2
InChIKeyQKYYHZBBEIYCFD-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.67
Rot. Bonds3

About 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one

4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one (PubChem CID 123986923) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one
PubChem CID123986923
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one
SMILESO=C1CCC(O)(COC2CCOC2)CC1
InChIInChI=1S/C11H18O4/c12-9-1-4-11(13,5-2-9)8-15-10-3-6-14-7-10/h10,13H,1-8H2
InChIKeyQKYYHZBBEIYCFD-UHFFFAOYSA-N
XLogP0.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-1-oxaspiro[4.5]decan-8-one
CID 59200776
4-(Butoxymethyl)-4-hydroxycyclohexan-1-one
CID 68045702
4-hydroxy-4-[[(3S)-oxolan-3-yl]oxymethyl]cyclohexan-1-one
CID 89975159
4-Hydroxy-4-(hydroxymethyl)cyclohexan-1-one;oxolane
CID 144574344
4-Hydroxy-4-(propoxymethyl)cyclohexan-1-one
CID 79568103
4-(Ethoxymethyl)-4-hydroxycyclohexan-1-one
CID 79568104
4-Hydroxy-4-(propan-2-yloxymethyl)cyclohexan-1-one
CID 79568231
4-Hydroxy-4-(methoxymethyl)cyclohexan-1-one
CID 79568232
4-[(1-Hydroxycyclohexyl)methoxy]cyclohexan-1-one
CID 104455712
4-[(1-Hydroxycyclopentyl)methoxy]cyclohexan-1-one
CID 104455778
2-(4-Hydroxyoxolan-3-yl)cyclohexan-1-one
CID 130502891

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one (CID 123986923) is 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one is O=C1CCC(O)(COC2CCOC2)CC1.
What is the InChIKey of 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one?
The InChIKey is QKYYHZBBEIYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c12-9-1-4-11(13,5-2-9)8-15-10-3-6-14-7-10/h10,13H,1-8H2.
What are the key properties of 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one?
4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one has a molecular weight of 214.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(oxolan-3-yloxymethyl)cyclohexan-1-one is sourced from PubChem (CID 123986923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).