2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one

C10H18O3 — CID 79428251

IUPAC2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCOCCO
InChIInChI=1S/C10H18O3/c11-6-8-13-7-5-9-3-1-2-4-10(9)12/h9,11H,1-8H2
InChIKeyHYCNRFUBOIAWQN-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.14
Rot. Bonds5

About 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one

2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one (PubChem CID 79428251) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one
PubChem CID79428251
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one
SMILESO=C1CCCCC1CCOCCO
InChIInChI=1S/C10H18O3/c11-6-8-13-7-5-9-3-1-2-4-10(9)12/h9,11H,1-8H2
InChIKeyHYCNRFUBOIAWQN-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one (CID 79428251) is 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one is O=C1CCCCC1CCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one?
The InChIKey is HYCNRFUBOIAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-6-8-13-7-5-9-3-1-2-4-10(9)12/h9,11H,1-8H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one?
2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethyl]cyclohexan-1-one is sourced from PubChem (CID 79428251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).