2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one

C14H24O2 — CID 13146904

IUPAC2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one
SMILESC=C(C)COC1C(=O)C(C)(C)CCC1(C)C
InChIInChI=1S/C14H24O2/c1-10(2)9-16-12-11(15)13(3,4)7-8-14(12,5)6/h12H,1,7-9H2,2-6H3
InChIKeyYGYWQFPSQSCPBS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.36
Rot. Bonds3

About 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one

2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one (PubChem CID 13146904) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one
PubChem CID13146904
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one
SMILESC=C(C)COC1C(=O)C(C)(C)CCC1(C)C
InChIInChI=1S/C14H24O2/c1-10(2)9-16-12-11(15)13(3,4)7-8-14(12,5)6/h12H,1,7-9H2,2-6H3
InChIKeyYGYWQFPSQSCPBS-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2,6,6-Tetramethyl-7-[(2-methylprop-2-en-1-yl)oxy]cycloheptan-1-one
CID 13146910

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one?
The IUPAC name of 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one (CID 13146904) is 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one?
The canonical SMILES for 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one is C=C(C)COC1C(=O)C(C)(C)CCC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one?
The InChIKey is YGYWQFPSQSCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)9-16-12-11(15)13(3,4)7-8-14(12,5)6/h12H,1,7-9H2,2-6H3.
What are the key properties of 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one?
2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-6-(2-methylprop-2-enoxy)cyclohexan-1-one is sourced from PubChem (CID 13146904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).