4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane

C14H26O2 — CID 176604638

IUPAC4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCCC1(CCCOC=C(C)C)CCOCC1
InChIInChI=1S/C14H26O2/c1-4-14(7-10-15-11-8-14)6-5-9-16-12-13(2)3/h12H,4-11H2,1-3H3
InChIKeyMBTHODAEVDZBPA-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.91
Rot. Bonds6

About 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane

4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane (PubChem CID 176604638) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane.

Molecular Properties

Compound Name4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
PubChem CID176604638
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
SMILESCCC1(CCCOC=C(C)C)CCOCC1
InChIInChI=1S/C14H26O2/c1-4-14(7-10-15-11-8-14)6-5-9-16-12-13(2)3/h12H,4-11H2,1-3H3
InChIKeyMBTHODAEVDZBPA-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
(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277602
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603165
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603191
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
4-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176603549
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
3-(2-Ethenoxyethyl)-3-methyloxane
CID 176603778
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603783

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane?
The IUPAC name of 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane (CID 176604638) is 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane.
What is the SMILES notation for 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane?
The canonical SMILES for 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane is CCC1(CCCOC=C(C)C)CCOCC1.
What is the InChIKey of 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane?
The InChIKey is MBTHODAEVDZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(7-10-15-11-8-14)6-5-9-16-12-13(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane?
4-ethyl-4-[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 4-ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane is sourced from PubChem (CID 176604638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).