2-(3-ethenoxypropyl)-2-ethyloxane

C12H22O2 — CID 176605357

IUPAC2-(3-ethenoxypropyl)-2-ethyloxane
SMILESC=COCCCC1(CC)CCCCO1
InChIInChI=1S/C12H22O2/c1-3-12(8-5-6-11-14-12)9-7-10-13-4-2/h4H,2-3,5-11H2,1H3
InChIKeyFQVHOLOUTRQFDC-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethyloxane

2-(3-ethenoxypropyl)-2-ethyloxane (PubChem CID 176605357) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethyloxane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethyloxane
PubChem CID176605357
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(3-ethenoxypropyl)-2-ethyloxane
SMILESC=COCCCC1(CC)CCCCO1
InChIInChI=1S/C12H22O2/c1-3-12(8-5-6-11-14-12)9-7-10-13-4-2/h4H,2-3,5-11H2,1H3
InChIKeyFQVHOLOUTRQFDC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
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-Butyl-2-methyloxane
CID 13494550
2,2-Dipropyloxane
CID 142864189
2-Methyl-2-propyloxane
CID 145222901
2-Ethyl-2-propyloxane
CID 154667822
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176603700
2-(2-Ethenoxyethyl)-2-methyloxane
CID 176603794
2-(3-Ethenoxypropyl)-2-ethyloxolane
CID 176603924
2-(3-Ethenoxypropyl)-2-ethyloxocane
CID 176604091
2-(Ethenoxymethyl)-2-ethyloxane
CID 176605304
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176605385
1,6-Bis(ethenoxy)-2,6-dimethyloctane
CID 160128284

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethyloxane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethyloxane (CID 176605357) is 2-(3-ethenoxypropyl)-2-ethyloxane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethyloxane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethyloxane is C=COCCCC1(CC)CCCCO1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethyloxane?
The InChIKey is FQVHOLOUTRQFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-12(8-5-6-11-14-12)9-7-10-13-4-2/h4H,2-3,5-11H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethyloxane?
2-(3-ethenoxypropyl)-2-ethyloxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethyloxane is sourced from PubChem (CID 176605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).