ethenoxycyclohexane;1-ethenoxy-2-methylpropane

C14H26O2 — CID 67845694

IUPACethenoxycyclohexane;1-ethenoxy-2-methylpropane
SMILESC=COC1CCCCC1.C=COCC(C)C
InChIInChI=1S/C8H14O.C6H12O/c1-2-9-8-6-4-3-5-7-8;1-4-7-5-6(2)3/h2,8H,1,3-7H2;4,6H,1,5H2,2-3H3
InChIKeyXGKHPSMHWWPSIH-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.28
Rot. Bonds5

About ethenoxycyclohexane;1-ethenoxy-2-methylpropane

ethenoxycyclohexane;1-ethenoxy-2-methylpropane (PubChem CID 67845694) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is ethenoxycyclohexane;1-ethenoxy-2-methylpropane.

Molecular Properties

Compound Nameethenoxycyclohexane;1-ethenoxy-2-methylpropane
PubChem CID67845694
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nameethenoxycyclohexane;1-ethenoxy-2-methylpropane
SMILESC=COC1CCCCC1.C=COCC(C)C
InChIInChI=1S/C8H14O.C6H12O/c1-2-9-8-6-4-3-5-7-8;1-4-7-5-6(2)3/h2,8H,1,3-7H2;4,6H,1,5H2,2-3H3
InChIKeyXGKHPSMHWWPSIH-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.28
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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Frequently Asked Questions

What is the IUPAC name of ethenoxycyclohexane;1-ethenoxy-2-methylpropane?
The IUPAC name of ethenoxycyclohexane;1-ethenoxy-2-methylpropane (CID 67845694) is ethenoxycyclohexane;1-ethenoxy-2-methylpropane.
What is the SMILES notation for ethenoxycyclohexane;1-ethenoxy-2-methylpropane?
The canonical SMILES for ethenoxycyclohexane;1-ethenoxy-2-methylpropane is C=COC1CCCCC1.C=COCC(C)C.
What is the InChIKey of ethenoxycyclohexane;1-ethenoxy-2-methylpropane?
The InChIKey is XGKHPSMHWWPSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C6H12O/c1-2-9-8-6-4-3-5-7-8;1-4-7-5-6(2)3/h2,8H,1,3-7H2;4,6H,1,5H2,2-3H3.
What are the key properties of ethenoxycyclohexane;1-ethenoxy-2-methylpropane?
ethenoxycyclohexane;1-ethenoxy-2-methylpropane has a molecular weight of 226.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxycyclohexane;1-ethenoxy-2-methylpropane is sourced from PubChem (CID 67845694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).