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

C11H20O2 — CID 176603349

IUPAC3-(2-methylprop-1-enoxy)oxocane
SMILESCC(C)=COC1CCCCCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-13-11-6-4-3-5-7-12-9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyACRZMOSXAXEZSH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds2

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

3-(2-methylprop-1-enoxy)oxocane (PubChem CID 176603349) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-methylprop-1-enoxy)oxocane.

Molecular Properties

Compound Name3-(2-methylprop-1-enoxy)oxocane
PubChem CID176603349
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(2-methylprop-1-enoxy)oxocane
SMILESCC(C)=COC1CCCCCOC1
InChIInChI=1S/C11H20O2/c1-10(2)8-13-11-6-4-3-5-7-12-9-11/h8,11H,3-7,9H2,1-2H3
InChIKeyACRZMOSXAXEZSH-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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

3-(Cyclohexylidenemethoxy)oxocane
CID 176603020
3-[(E)-prop-1-enoxy]oxocane
CID 176603148
2-(2-Methylprop-1-enoxymethyl)oxocane
CID 176603282
2-[3-(2-Methylprop-1-enoxy)propyl]oxocane
CID 176603288
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-[1-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176603756
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-[1-[(E)-prop-1-enoxy]ethyl]oxocane
CID 176603978
2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176604541
2-(2-Methylprop-1-enoxymethyl)oxepane
CID 176604560
2-(2-Methylprop-1-enoxymethyl)oxane
CID 176604594
2-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176605190

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-1-enoxy)oxocane?
The IUPAC name of 3-(2-methylprop-1-enoxy)oxocane (CID 176603349) is 3-(2-methylprop-1-enoxy)oxocane.
What is the SMILES notation for 3-(2-methylprop-1-enoxy)oxocane?
The canonical SMILES for 3-(2-methylprop-1-enoxy)oxocane is CC(C)=COC1CCCCCOC1.
What is the InChIKey of 3-(2-methylprop-1-enoxy)oxocane?
The InChIKey is ACRZMOSXAXEZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)8-13-11-6-4-3-5-7-12-9-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-(2-methylprop-1-enoxy)oxocane?
3-(2-methylprop-1-enoxy)oxocane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 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)oxocane is sourced from PubChem (CID 176603349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).