2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane

C14H26O2 — CID 176603700

IUPAC2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCCC1(CCCOC=C(C)C)CCCCO1
InChIInChI=1S/C14H26O2/c1-4-14(8-5-6-11-16-14)9-7-10-15-12-13(2)3/h12H,4-11H2,1-3H3
InChIKeyBPIKWOZQIBXEBQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds6

About 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane

2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane (PubChem CID 176603700) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane.

Molecular Properties

Compound Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
PubChem CID176603700
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCCC1(CCCOC=C(C)C)CCCCO1
InChIInChI=1S/C14H26O2/c1-4-14(8-5-6-11-16-14)9-7-10-15-12-13(2)3/h12H,4-11H2,1-3H3
InChIKeyBPIKWOZQIBXEBQ-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
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-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603337
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxane
CID 176603481
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604262
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604335
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176604612
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxane
CID 176604784
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxocane
CID 176605253
2-(3-Ethenoxypropyl)-2-ethyloxane
CID 176605357
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176605385

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane?
The IUPAC name of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane (CID 176603700) is 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane.
What is the SMILES notation for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane?
The canonical SMILES for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane is CCC1(CCCOC=C(C)C)CCCCO1.
What is the InChIKey of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane?
The InChIKey is BPIKWOZQIBXEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(8-5-6-11-16-14)9-7-10-15-12-13(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane?
2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane is sourced from PubChem (CID 176603700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).