2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one

C13H24O2 — CID 116710244

IUPAC2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one
SMILESCCOC(C)(C)C(=O)C1CCCC(C)C1
InChIInChI=1S/C13H24O2/c1-5-15-13(3,4)12(14)11-8-6-7-10(2)9-11/h10-11H,5-9H2,1-4H3
InChIKeyKVSGYBDDBKBWTA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds4

About 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one

2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one (PubChem CID 116710244) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one
PubChem CID116710244
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one
SMILESCCOC(C)(C)C(=O)C1CCCC(C)C1
InChIInChI=1S/C13H24O2/c1-5-15-13(3,4)12(14)11-8-6-7-10(2)9-11/h10-11H,5-9H2,1-4H3
InChIKeyKVSGYBDDBKBWTA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one (CID 116710244) is 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one is CCOC(C)(C)C(=O)C1CCCC(C)C1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
The InChIKey is KVSGYBDDBKBWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-15-13(3,4)12(14)11-8-6-7-10(2)9-11/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one?
2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one has a molecular weight of 212.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(3-methylcyclohexyl)propan-1-one is sourced from PubChem (CID 116710244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).