1,2-dicyclohexyl-2-ethoxyethanone

C16H28O2 — CID 70193866

IUPAC1,2-dicyclohexyl-2-ethoxyethanone
SMILESCCOC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28O2/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
InChIKeyKAJRAXVKKNBOGJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.12
Rot. Bonds5

About 1,2-dicyclohexyl-2-ethoxyethanone

1,2-dicyclohexyl-2-ethoxyethanone (PubChem CID 70193866) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,2-dicyclohexyl-2-ethoxyethanone.

Molecular Properties

Compound Name1,2-dicyclohexyl-2-ethoxyethanone
PubChem CID70193866
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1,2-dicyclohexyl-2-ethoxyethanone
SMILESCCOC(C(=O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H28O2/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3
InChIKeyKAJRAXVKKNBOGJ-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-2-cyclopropyl-2-ethoxyethanone
CID 116709413
2-cyclopropyl-2-ethoxy-1-(4-methylcyclohexyl)ethanone
CID 116709436
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1-cyclohexyl-1-ethoxy-3-ethylpentan-2-one
CID 116751188
(1-ethoxy-2-methylprop-2-enyl)cyclohexane
CID 139654619
1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
CID 116709099
ethyl 2-(2-cyclohexyl-2-ethoxyacetyl)pentanoate
CID 116775042
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116751239
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
3-(2-bicyclo[2.2.1]heptanyl)-1-cyclohexyl-1-ethoxypropan-2-one
CID 116751322
1-cyclohexyl-1-propoxypropan-2-one
CID 83224965

Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-2-ethoxyethanone?
The IUPAC name of 1,2-dicyclohexyl-2-ethoxyethanone (CID 70193866) is 1,2-dicyclohexyl-2-ethoxyethanone.
What is the SMILES notation for 1,2-dicyclohexyl-2-ethoxyethanone?
The canonical SMILES for 1,2-dicyclohexyl-2-ethoxyethanone is CCOC(C(=O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-2-ethoxyethanone?
The InChIKey is KAJRAXVKKNBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-18-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 1,2-dicyclohexyl-2-ethoxyethanone?
1,2-dicyclohexyl-2-ethoxyethanone has a molecular weight of 252.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-2-ethoxyethanone is sourced from PubChem (CID 70193866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).