2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane

C13H24O2 — CID 176603429

IUPAC2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane
SMILESCC(C)=COCC1(C)CCCCCCO1
InChIInChI=1S/C13H24O2/c1-12(2)10-14-11-13(3)8-6-4-5-7-9-15-13/h10H,4-9,11H2,1-3H3
InChIKeyJFSONVXHRVNCHB-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds3

About 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane

2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane (PubChem CID 176603429) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane
PubChem CID176603429
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane
SMILESCC(C)=COCC1(C)CCCCCCO1
InChIInChI=1S/C13H24O2/c1-12(2)10-14-11-13(3)8-6-4-5-7-9-15-13/h10H,4-9,11H2,1-3H3
InChIKeyJFSONVXHRVNCHB-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane 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-methyl-2-(2-methylprop-1-enoxymethyl)oxocane?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane (CID 176603429) is 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane is CC(C)=COCC1(C)CCCCCCO1.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane?
The InChIKey is JFSONVXHRVNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)10-14-11-13(3)8-6-4-5-7-9-15-13/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane?
2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane is sourced from PubChem (CID 176603429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).