1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone

C13H24O2 — CID 105105339

IUPAC1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCC(C)C(C)C1
InChIInChI=1S/C13H24O2/c1-9(2)15-8-13(14)12-6-5-10(3)11(4)7-12/h9-12H,5-8H2,1-4H3
InChIKeyRLMPDHPHPMQGLG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.05
Rot. Bonds4

About 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone

1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone (PubChem CID 105105339) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
PubChem CID105105339
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)C1CCC(C)C(C)C1
InChIInChI=1S/C13H24O2/c1-9(2)15-8-13(14)12-6-5-10(3)11(4)7-12/h9-12H,5-8H2,1-4H3
InChIKeyRLMPDHPHPMQGLG-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminocyclopentyl)-2-propan-2-yloxyethanone
CID 116587127
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
1-(3-ethylcyclohexyl)-2-propan-2-yloxyethanone
CID 79566351
2-amino-1-(3,4-dimethylcyclohexyl)ethanone
CID 116548380
1-(3,4-dimethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanone
CID 65137650
1-(3,4-dimethylcyclohexyl)-4,5-dimethyloctan-1-one
CID 90160805
2-cyclobutyl-1-(3,4-dimethylcyclohexyl)ethanone
CID 103167882
1-(3,4-dimethylcyclohexyl)but-3-en-1-one
CID 116659531
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethanone
CID 114975460
1-(3,4-dimethylcyclohexyl)-2-ethoxybutan-1-one
CID 116707440
4-amino-1-(3,4-dimethylcyclohexyl)butan-1-one
CID 116553232
3-amino-1-(3,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116581016

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone (CID 105105339) is 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone?
The InChIKey is RLMPDHPHPMQGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)15-8-13(14)12-6-5-10(3)11(4)7-12/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone?
1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone has a molecular weight of 212.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105105339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).