2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane

C14H26O2 — CID 176603287

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
SMILESCCC1(COC=C(C)C)CCCCCCO1
InChIInChI=1S/C14H26O2/c1-4-14(12-15-11-13(2)3)9-7-5-6-8-10-16-14/h11H,4-10,12H2,1-3H3
InChIKeyPFMDRPWJAJTFOG-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane

2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane (PubChem CID 176603287) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
PubChem CID176603287
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane
SMILESCCC1(COC=C(C)C)CCCCCCO1
InChIInChI=1S/C14H26O2/c1-4-14(12-15-11-13(2)3)9-7-5-6-8-10-16-14/h11H,4-10,12H2,1-3H3
InChIKeyPFMDRPWJAJTFOG-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
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

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176603088
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-(2-Methylprop-1-enoxymethyl)oxocane
CID 176603282
2-Methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
CID 176603539
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxocane
CID 176603560
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176603609
2-(Cyclohexylidenemethoxymethyl)-2-methyloxocane
CID 176603918
3-[2-(2-Methylprop-1-enoxy)ethyl]oxocane
CID 176604005
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxepane
CID 176604209

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane (CID 176603287) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane is CCC1(COC=C(C)C)CCCCCCO1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane?
The InChIKey is PFMDRPWJAJTFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(12-15-11-13(2)3)9-7-5-6-8-10-16-14/h11H,4-10,12H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)oxocane is sourced from PubChem (CID 176603287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).