4-(2-hydroxyethyl)cyclohexan-1-one

C8H14O2 — CID 15700392

IUPAC4-(2-hydroxyethyl)cyclohexan-1-one
SMILESO=C1CCC(CCO)CC1
InChIInChI=1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h7,9H,1-6H2
InChIKeyBCEXHABGXALHQU-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds2

About 4-(2-hydroxyethyl)cyclohexan-1-one

4-(2-hydroxyethyl)cyclohexan-1-one (PubChem CID 15700392) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)cyclohexan-1-one
PubChem CID15700392
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(2-hydroxyethyl)cyclohexan-1-one
SMILESO=C1CCC(CCO)CC1
InChIInChI=1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h7,9H,1-6H2
InChIKeyBCEXHABGXALHQU-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)cyclohexan-1-one?
The IUPAC name of 4-(2-hydroxyethyl)cyclohexan-1-one (CID 15700392) is 4-(2-hydroxyethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-hydroxyethyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-hydroxyethyl)cyclohexan-1-one is O=C1CCC(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)cyclohexan-1-one?
The InChIKey is BCEXHABGXALHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-5-7-1-3-8(10)4-2-7/h7,9H,1-6H2.
What are the key properties of 4-(2-hydroxyethyl)cyclohexan-1-one?
4-(2-hydroxyethyl)cyclohexan-1-one has a molecular weight of 142.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)cyclohexan-1-one is sourced from PubChem (CID 15700392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).