1,2-dicyclohexyl-2-hydroxyethanone

C14H24O2 — CID 10867944

IUPAC1,2-dicyclohexyl-2-hydroxyethanone
SMILESO=C(C1CCCCC1)C(O)C1CCCCC1
InChIInChI=1S/C14H24O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-13,15H,1-10H2
InChIKeyAZPGPTHEQGZRBZ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.08
Rot. Bonds3

About 1,2-dicyclohexyl-2-hydroxyethanone

1,2-dicyclohexyl-2-hydroxyethanone (PubChem CID 10867944) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1,2-dicyclohexyl-2-hydroxyethanone.

Molecular Properties

Compound Name1,2-dicyclohexyl-2-hydroxyethanone
PubChem CID10867944
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1,2-dicyclohexyl-2-hydroxyethanone
SMILESO=C(C1CCCCC1)C(O)C1CCCCC1
InChIInChI=1S/C14H24O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-13,15H,1-10H2
InChIKeyAZPGPTHEQGZRBZ-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-2-hydroxyethanone?
The IUPAC name of 1,2-dicyclohexyl-2-hydroxyethanone (CID 10867944) is 1,2-dicyclohexyl-2-hydroxyethanone.
What is the SMILES notation for 1,2-dicyclohexyl-2-hydroxyethanone?
The canonical SMILES for 1,2-dicyclohexyl-2-hydroxyethanone is O=C(C1CCCCC1)C(O)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-2-hydroxyethanone?
The InChIKey is AZPGPTHEQGZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h11-13,15H,1-10H2.
What are the key properties of 1,2-dicyclohexyl-2-hydroxyethanone?
1,2-dicyclohexyl-2-hydroxyethanone has a molecular weight of 224.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-2-hydroxyethanone is sourced from PubChem (CID 10867944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).