1-ethenylidene-3-ethoxy-2-methylidenecyclohexane

C11H16O — CID 20689741

IUPAC1-ethenylidene-3-ethoxy-2-methylidenecyclohexane
SMILESC=C=C1CCCC(OCC)C1=C
InChIInChI=1S/C11H16O/c1-4-10-7-6-8-11(9(10)3)12-5-2/h11H,1,3,5-8H2,2H3
InChIKeyPGTUQIBMZZJDFY-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.84
Rot. Bonds2

About 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane

1-ethenylidene-3-ethoxy-2-methylidenecyclohexane (PubChem CID 20689741) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethenylidene-3-ethoxy-2-methylidenecyclohexane
PubChem CID20689741
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-ethenylidene-3-ethoxy-2-methylidenecyclohexane
SMILESC=C=C1CCCC(OCC)C1=C
InChIInChI=1S/C11H16O/c1-4-10-7-6-8-11(9(10)3)12-5-2/h11H,1,3,5-8H2,2H3
InChIKeyPGTUQIBMZZJDFY-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane?
The IUPAC name of 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane (CID 20689741) is 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane.
What is the SMILES notation for 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane?
The canonical SMILES for 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane is C=C=C1CCCC(OCC)C1=C.
What is the InChIKey of 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane?
The InChIKey is PGTUQIBMZZJDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-4-10-7-6-8-11(9(10)3)12-5-2/h11H,1,3,5-8H2,2H3.
What are the key properties of 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane?
1-ethenylidene-3-ethoxy-2-methylidenecyclohexane has a molecular weight of 164.25 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylidene-3-ethoxy-2-methylidenecyclohexane is sourced from PubChem (CID 20689741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).