2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one

C13H24O2 — CID 176614549

IUPAC2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
SMILESCC(C)OC1(C(=O)C(C)C)CCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)12(14)13(15-11(3)4)8-6-5-7-9-13/h10-11H,5-9H2,1-4H3
InChIKeyHMRNCSFMGODLMK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one

2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one (PubChem CID 176614549) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
PubChem CID176614549
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
SMILESCC(C)OC1(C(=O)C(C)C)CCCCC1
InChIInChI=1S/C13H24O2/c1-10(2)12(14)13(15-11(3)4)8-6-5-7-9-13/h10-11H,5-9H2,1-4H3
InChIKeyHMRNCSFMGODLMK-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one (CID 176614549) is 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one is CC(C)OC1(C(=O)C(C)C)CCCCC1.
What is the InChIKey of 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one?
The InChIKey is HMRNCSFMGODLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)12(14)13(15-11(3)4)8-6-5-7-9-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one?
2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one is sourced from PubChem (CID 176614549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).