2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane

C13H24O2 — CID 176604209

IUPAC2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
SMILESCC(C)=COCCC1(C)CCCCCO1
InChIInChI=1S/C13H24O2/c1-12(2)11-14-10-8-13(3)7-5-4-6-9-15-13/h11H,4-10H2,1-3H3
InChIKeyGXARGXXWKVCEHY-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds4

About 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane

2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane (PubChem CID 176604209) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
PubChem CID176604209
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
SMILESCC(C)=COCCC1(C)CCCCCO1
InChIInChI=1S/C13H24O2/c1-12(2)11-14-10-8-13(3)7-5-4-6-9-15-13/h11H,4-10H2,1-3H3
InChIKeyGXARGXXWKVCEHY-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176603088
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxepane
CID 176603114
2-(2-Ethenoxyethyl)-2-methyloxepane
CID 176603179
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603287
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
CID 176603539
3-[1-(2-Methylprop-1-enoxy)ethyl]oxepane
CID 176603555
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxepane
CID 176604031
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604335
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxocane
CID 176605253
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxepane
CID 176605452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane?
The IUPAC name of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane (CID 176604209) is 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane.
What is the SMILES notation for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane?
The canonical SMILES for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane is CC(C)=COCCC1(C)CCCCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane?
The InChIKey is GXARGXXWKVCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)11-14-10-8-13(3)7-5-4-6-9-15-13/h11H,4-10H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane?
2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane is sourced from PubChem (CID 176604209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).