3-(3-ethenoxypropyl)-3-ethyloxane

C12H22O2 — CID 176605083

IUPAC3-(3-ethenoxypropyl)-3-ethyloxane
SMILESC=COCCCC1(CC)CCCOC1
InChIInChI=1S/C12H22O2/c1-3-12(7-5-9-13-4-2)8-6-10-14-11-12/h4H,2-3,5-11H2,1H3
InChIKeyJLJGCIXKBSIYDX-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds6

About 3-(3-ethenoxypropyl)-3-ethyloxane

3-(3-ethenoxypropyl)-3-ethyloxane (PubChem CID 176605083) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)-3-ethyloxane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)-3-ethyloxane
PubChem CID176605083
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(3-ethenoxypropyl)-3-ethyloxane
SMILESC=COCCCC1(CC)CCCOC1
InChIInChI=1S/C12H22O2/c1-3-12(7-5-9-13-4-2)8-6-10-14-11-12/h4H,2-3,5-11H2,1H3
InChIKeyJLJGCIXKBSIYDX-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
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

1,3,5-Tris(ethenoxymethyl)-1,3,5-trimethylcyclohexane
CID 20661392
1,1-Bis(2-ethenoxyethyl)cyclohexane
CID 122641408
1-Ethenoxy-3,3-dimethylheptane
CID 123804300
3-(3-Ethenoxypropyl)-3-propyloxetane
CID 140130462
3-(Ethenoxymethyl)-3-ethyloxane
CID 161788767
(3R)-3-(methoxymethyl)-3-propyloxane
CID 168881055
3-(3-Methoxypropyl)-3-methyloxane
CID 172289514
3-(3-Ethenoxypropyl)oxane
CID 176603417
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
4-(2-Ethenoxyethyl)-4-methyloxane
CID 176603712
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 3-(3-ethenoxypropyl)-3-ethyloxane?
The IUPAC name of 3-(3-ethenoxypropyl)-3-ethyloxane (CID 176605083) is 3-(3-ethenoxypropyl)-3-ethyloxane.
What is the SMILES notation for 3-(3-ethenoxypropyl)-3-ethyloxane?
The canonical SMILES for 3-(3-ethenoxypropyl)-3-ethyloxane is C=COCCCC1(CC)CCCOC1.
What is the InChIKey of 3-(3-ethenoxypropyl)-3-ethyloxane?
The InChIKey is JLJGCIXKBSIYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-12(7-5-9-13-4-2)8-6-10-14-11-12/h4H,2-3,5-11H2,1H3.
What are the key properties of 3-(3-ethenoxypropyl)-3-ethyloxane?
3-(3-ethenoxypropyl)-3-ethyloxane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)-3-ethyloxane is sourced from PubChem (CID 176605083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).