1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane

C22H38O2 — CID 22074875

IUPAC1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane
SMILESC=C(OC(=C)C1CCCCC1)C1CCCCC1.C=COCC(C)C
InChIInChI=1S/C16H26O.C6H12O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;1-4-7-5-6(2)3/h15-16H,1-12H2;4,6H,1,5H2,2-3H3
InChIKeyHCZJWNQDUFDGLI-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.99
Rot. Bonds7

About 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane

1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane (PubChem CID 22074875) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane.

Molecular Properties

Compound Name1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane
PubChem CID22074875
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane
SMILESC=C(OC(=C)C1CCCCC1)C1CCCCC1.C=COCC(C)C
InChIInChI=1S/C16H26O.C6H12O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;1-4-7-5-6(2)3/h15-16H,1-12H2;4,6H,1,5H2,2-3H3
InChIKeyHCZJWNQDUFDGLI-UHFFFAOYSA-N
XLogP6.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.99
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 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane?
The IUPAC name of 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane (CID 22074875) is 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane.
What is the SMILES notation for 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane?
The canonical SMILES for 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane is C=C(OC(=C)C1CCCCC1)C1CCCCC1.C=COCC(C)C.
What is the InChIKey of 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane?
The InChIKey is HCZJWNQDUFDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.C6H12O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16;1-4-7-5-6(2)3/h15-16H,1-12H2;4,6H,1,5H2,2-3H3.
What are the key properties of 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane?
1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane has a molecular weight of 334.54 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethenoxy)ethenylcyclohexane;1-ethenoxy-2-methylpropane is sourced from PubChem (CID 22074875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).