2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane

C13H24O2 — CID 176603539

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
SMILESCCC1(COC=C(C)C)CCCCCO1
InChIInChI=1S/C13H24O2/c1-4-13(11-14-10-12(2)3)8-6-5-7-9-15-13/h10H,4-9,11H2,1-3H3
InChIKeyPOMYGCPFQIFURN-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane

2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane (PubChem CID 176603539) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
PubChem CID176603539
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
SMILESCCC1(COC=C(C)C)CCCCCO1
InChIInChI=1S/C13H24O2/c1-4-13(11-14-10-12(2)3)8-6-5-7-9-15-13/h10H,4-9,11H2,1-3H3
InChIKeyPOMYGCPFQIFURN-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'}

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Related Compounds

2-(Cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176603088
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603287
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-(Cyclopentylidenemethoxymethyl)-2-methyloxepane
CID 176603786
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxepane
CID 176604031
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
CID 176604209
2-(Ethenoxymethyl)-2-ethyloxepane
CID 176604401
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxepane
CID 176605227
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176605405

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane (CID 176603539) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane is CCC1(COC=C(C)C)CCCCCO1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane?
The InChIKey is POMYGCPFQIFURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-13(11-14-10-12(2)3)8-6-5-7-9-15-13/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)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-ethyl-2-(2-methylprop-1-enoxymethyl)oxepane is sourced from PubChem (CID 176603539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).