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

C13H24O2 — CID 176605385

IUPAC2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
SMILESC/C=C/OCCCC1(CC)CCCCO1
InChIInChI=1S/C13H24O2/c1-3-10-14-11-7-9-13(4-2)8-5-6-12-15-13/h3,10H,4-9,11-12H2,1-2H3/b10-3+
InChIKeyOQWVGQDPELQYHO-XCVCLJGOSA-N
MW212.33 g/mol
LogP3.67
Rot. Bonds6

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

2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane (PubChem CID 176605385) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane.

Molecular Properties

Compound Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
PubChem CID176605385
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
SMILESC/C=C/OCCCC1(CC)CCCCO1
InChIInChI=1S/C13H24O2/c1-3-10-14-11-7-9-13(4-2)8-5-6-12-15-13/h3,10H,4-9,11-12H2,1-2H3/b10-3+
InChIKeyOQWVGQDPELQYHO-XCVCLJGOSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.67
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-Ethyl-2-pent-4-enyloxane
CID 156532065
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
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-Ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605332
2-(3-Ethenoxypropyl)-2-ethyloxane
CID 176605357
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176605438

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane?
The IUPAC name of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane (CID 176605385) is 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane.
What is the SMILES notation for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane?
The canonical SMILES for 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane is C/C=C/OCCCC1(CC)CCCCO1.
What is the InChIKey of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane?
The InChIKey is OQWVGQDPELQYHO-XCVCLJGOSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-10-14-11-7-9-13(4-2)8-5-6-12-15-13/h3,10H,4-9,11-12H2,1-2H3/b10-3+.
What are the key properties of 2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane?
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane has a molecular weight of 212.33 g/mol, XLogP of 3.67, 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-[(E)-prop-1-enoxy]propyl]oxane is sourced from PubChem (CID 176605385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).