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

C14H26O2 — CID 176603783

IUPAC3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCCC1(CCCOC=C(C)C)CCCOC1
InChIInChI=1S/C14H26O2/c1-4-14(8-6-10-16-12-14)7-5-9-15-11-13(2)3/h11H,4-10,12H2,1-3H3
InChIKeyAEIVTRGRTYOURH-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds6

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

3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane (PubChem CID 176603783) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane.

Molecular Properties

Compound Name3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
PubChem CID176603783
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCCC1(CCCOC=C(C)C)CCCOC1
InChIInChI=1S/C14H26O2/c1-4-14(8-6-10-16-12-14)7-5-9-15-11-13(2)3/h11H,4-10,12H2,1-3H3
InChIKeyAEIVTRGRTYOURH-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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

3-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxane
CID 176603059
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxepane
CID 176604006
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]oxane
CID 176604114
3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176604178
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxolane
CID 176604233
3-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176604413
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638
3-(3-Ethenoxypropyl)-3-ethyloxane
CID 176605083
3-Methyl-3-(2-methylprop-1-enoxymethyl)oxane
CID 176605098

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane?
The IUPAC name of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane (CID 176603783) is 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane.
What is the SMILES notation for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane?
The canonical SMILES for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane is CCC1(CCCOC=C(C)C)CCCOC1.
What is the InChIKey of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane?
The InChIKey is AEIVTRGRTYOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(8-6-10-16-12-14)7-5-9-15-11-13(2)3/h11H,4-10,12H2,1-3H3.
What are the key properties of 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane?
3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane has a molecular weight of 226.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane is sourced from PubChem (CID 176603783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).