2-(ethenoxymethyl)-2-ethyloxocane

C12H22O2 — CID 176604528

IUPAC2-(ethenoxymethyl)-2-ethyloxocane
SMILESC=COCC1(CC)CCCCCCO1
InChIInChI=1S/C12H22O2/c1-3-12(11-13-4-2)9-7-5-6-8-10-14-12/h4H,2-3,5-11H2,1H3
InChIKeyQRNKNVLDRSUDKH-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethyloxocane

2-(ethenoxymethyl)-2-ethyloxocane (PubChem CID 176604528) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyloxocane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethyloxocane
PubChem CID176604528
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(ethenoxymethyl)-2-ethyloxocane
SMILESC=COCC1(CC)CCCCCCO1
InChIInChI=1S/C12H22O2/c1-3-12(11-13-4-2)9-7-5-6-8-10-14-12/h4H,2-3,5-11H2,1H3
InChIKeyQRNKNVLDRSUDKH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

3-(Ethoxymethyl)-3-methoxynonane
CID 91409964
2,7-Bis(ethenoxy)-2,7-dimethyloctane
CID 126747759
3-(2-Methoxyethoxy)-3-methylnonane
CID 139320025
2-(6-Ethenoxyhexyl)-2-ethyloxetane
CID 140206364
2-(5-Ethenoxypentyl)-2-ethyloxetane
CID 140206366
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603287
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176603609
2-(3-Ethenoxypropyl)-2-ethyloxocane
CID 176604091
2-(Ethenoxymethyl)-2-methyloxocane
CID 176604370

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethyloxocane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethyloxocane (CID 176604528) is 2-(ethenoxymethyl)-2-ethyloxocane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyloxocane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethyloxocane is C=COCC1(CC)CCCCCCO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethyloxocane?
The InChIKey is QRNKNVLDRSUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-12(11-13-4-2)9-7-5-6-8-10-14-12/h4H,2-3,5-11H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethyloxocane?
2-(ethenoxymethyl)-2-ethyloxocane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethyloxocane is sourced from PubChem (CID 176604528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).