2-hydroxy-1-(1-hydroxycyclohexyl)ethanone

C8H14O3 — CID 13486011

IUPAC2-hydroxy-1-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CO)C1(O)CCCCC1
InChIInChI=1S/C8H14O3/c9-6-7(10)8(11)4-2-1-3-5-8/h9,11H,1-6H2
InChIKeyWDUYKKAPKIGBCK-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.24
Rot. Bonds2

About 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone

2-hydroxy-1-(1-hydroxycyclohexyl)ethanone (PubChem CID 13486011) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(1-hydroxycyclohexyl)ethanone
PubChem CID13486011
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-hydroxy-1-(1-hydroxycyclohexyl)ethanone
SMILESO=C(CO)C1(O)CCCCC1
InChIInChI=1S/C8H14O3/c9-6-7(10)8(11)4-2-1-3-5-8/h9,11H,1-6H2
InChIKeyWDUYKKAPKIGBCK-UHFFFAOYSA-N
XLogP0.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone?
The IUPAC name of 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone (CID 13486011) is 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone?
The canonical SMILES for 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone is O=C(CO)C1(O)CCCCC1.
What is the InChIKey of 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone?
The InChIKey is WDUYKKAPKIGBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-6-7(10)8(11)4-2-1-3-5-8/h9,11H,1-6H2.
What are the key properties of 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone?
2-hydroxy-1-(1-hydroxycyclohexyl)ethanone has a molecular weight of 158.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(1-hydroxycyclohexyl)ethanone is sourced from PubChem (CID 13486011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).