2-(ethenoxymethyl)-2-methyloxocane

C11H20O2 — CID 176604370

IUPAC2-(ethenoxymethyl)-2-methyloxocane
SMILESC=COCC1(C)CCCCCCO1
InChIInChI=1S/C11H20O2/c1-3-12-10-11(2)8-6-4-5-7-9-13-11/h3H,1,4-10H2,2H3
InChIKeyHISZJZBMHBSPER-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds3

About 2-(ethenoxymethyl)-2-methyloxocane

2-(ethenoxymethyl)-2-methyloxocane (PubChem CID 176604370) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-methyloxocane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-methyloxocane
PubChem CID176604370
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(ethenoxymethyl)-2-methyloxocane
SMILESC=COCC1(C)CCCCCCO1
InChIInChI=1S/C11H20O2/c1-3-12-10-11(2)8-6-4-5-7-9-13-11/h3H,1,4-10H2,2H3
InChIKeyHISZJZBMHBSPER-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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-Ethenoxy-2-methylundecane
CID 56975110
2-Ethenoxy-2-methyloctane
CID 88235710
2,3-Bis(ethenoxy)-2-methyldodecane
CID 126727073
2,7-Bis(ethenoxy)-2,7-dimethyloctane
CID 126747759
2-(2-Ethoxyethoxy)-2-methyloctane
CID 129164348
2-Ethenoxy-2-methyldecane
CID 150977035
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
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-ethyloxepane
CID 176604401

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-methyloxocane?
The IUPAC name of 2-(ethenoxymethyl)-2-methyloxocane (CID 176604370) is 2-(ethenoxymethyl)-2-methyloxocane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-methyloxocane?
The canonical SMILES for 2-(ethenoxymethyl)-2-methyloxocane is C=COCC1(C)CCCCCCO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-methyloxocane?
The InChIKey is HISZJZBMHBSPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-12-10-11(2)8-6-4-5-7-9-13-11/h3H,1,4-10H2,2H3.
What are the key properties of 2-(ethenoxymethyl)-2-methyloxocane?
2-(ethenoxymethyl)-2-methyloxocane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-methyloxocane is sourced from PubChem (CID 176604370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).