3-(2-methylprop-1-enoxy)oxepane

C10H18O2 — CID 176604228

IUPAC3-(2-methylprop-1-enoxy)oxepane
SMILESCC(C)=COC1CCCCOC1
InChIInChI=1S/C10H18O2/c1-9(2)7-12-10-5-3-4-6-11-8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVCZSJYSVHYXMKB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds2

About 3-(2-methylprop-1-enoxy)oxepane

3-(2-methylprop-1-enoxy)oxepane (PubChem CID 176604228) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxy)oxepane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxy)oxepane
PubChem CID176604228
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(2-methylprop-1-enoxy)oxepane
SMILESCC(C)=COC1CCCCOC1
InChIInChI=1S/C10H18O2/c1-9(2)7-12-10-5-3-4-6-11-8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVCZSJYSVHYXMKB-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
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

5-(2-Methylprop-1-enoxy)-1-[6-(2-methylprop-1-enoxy)hexoxy]hexane
CID 88669267
3-(Cyclohexylidenemethoxy)oxepane
CID 176603299
2-(2-Methylprop-1-enoxymethyl)oxepane
CID 176604560
3-[(E)-prop-1-enoxy]oxepane
CID 176605000
3-(Cyclopentylidenemethoxy)oxepane
CID 176605011
2-[1-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176605125

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxy)oxepane?
The IUPAC name of 3-(2-methylprop-1-enoxy)oxepane (CID 176604228) is 3-(2-methylprop-1-enoxy)oxepane.
What is the SMILES notation for 3-(2-methylprop-1-enoxy)oxepane?
The canonical SMILES for 3-(2-methylprop-1-enoxy)oxepane is CC(C)=COC1CCCCOC1.
What is the InChIKey of 3-(2-methylprop-1-enoxy)oxepane?
The InChIKey is VCZSJYSVHYXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-12-10-5-3-4-6-11-8-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxy)oxepane?
3-(2-methylprop-1-enoxy)oxepane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-1-enoxy)oxepane is sourced from PubChem (CID 176604228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).