1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one

C12H22O3 — CID 103457527

IUPAC1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)C(O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-9(2)15-8-11(13)12(14)10-6-4-3-5-7-10/h9-10,12,14H,3-8H2,1-2H3
InChIKeyVELCQPIXKRJLBY-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.92
Rot. Bonds5

About 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one

1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one (PubChem CID 103457527) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
PubChem CID103457527
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Name1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
SMILESCC(C)OCC(=O)C(O)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-9(2)15-8-11(13)12(14)10-6-4-3-5-7-10/h9-10,12,14H,3-8H2,1-2H3
InChIKeyVELCQPIXKRJLBY-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2-propan-2-yloxyacetamide
CID 103940569
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
1-cyclohexyl-1-hydroxy-4-methylpent-4-en-2-one
CID 103457687
1-cyclohexyl-1-hydroxy-4-methylheptan-2-one
CID 103457590
N-(1-cyclobutylethyl)-2-propan-2-yloxyacetamide
CID 115769012
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
1,4-dicyclohexyl-1-hydroxybutan-2-one
CID 114191974
1-cyclopropyl-1-hydroxy-3-propoxypropan-2-one
CID 103455690
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
2-cyclohexyl-2-hydroxyacetyl chloride
CID 87847920

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one?
The IUPAC name of 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one (CID 103457527) is 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one?
The canonical SMILES for 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one is CC(C)OCC(=O)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one?
The InChIKey is VELCQPIXKRJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9(2)15-8-11(13)12(14)10-6-4-3-5-7-10/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one?
1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one has a molecular weight of 214.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one is sourced from PubChem (CID 103457527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).