2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one

C15H26O2 — CID 13146910

IUPAC2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one
SMILESC=C(C)COC1C(=O)C(C)(C)CCCC1(C)C
InChIInChI=1S/C15H26O2/c1-11(2)10-17-13-12(16)14(3,4)8-7-9-15(13,5)6/h13H,1,7-10H2,2-6H3
InChIKeyOGNJVRSTPFFQCQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.75
Rot. Bonds3

About 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one

2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one (PubChem CID 13146910) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one
PubChem CID13146910
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one
SMILESC=C(C)COC1C(=O)C(C)(C)CCCC1(C)C
InChIInChI=1S/C15H26O2/c1-11(2)10-17-13-12(16)14(3,4)8-7-9-15(13,5)6/h13H,1,7-10H2,2-6H3
InChIKeyOGNJVRSTPFFQCQ-UHFFFAOYSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one?
The IUPAC name of 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one (CID 13146910) is 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one.
What is the SMILES notation for 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one?
The canonical SMILES for 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one is C=C(C)COC1C(=O)C(C)(C)CCCC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one?
The InChIKey is OGNJVRSTPFFQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)10-17-13-12(16)14(3,4)8-7-9-15(13,5)6/h13H,1,7-10H2,2-6H3.
What are the key properties of 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one?
2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-7-(2-methylprop-2-enoxy)cycloheptan-1-one is sourced from PubChem (CID 13146910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).