1-ethenyl-1-prop-2-enoxycyclohexane

C11H18O — CID 12997286

IUPAC1-ethenyl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1(C=C)CCCCC1
InChIInChI=1S/C11H18O/c1-3-10-12-11(4-2)8-6-5-7-9-11/h3-4H,1-2,5-10H2
InChIKeyHZIDRQQGOSHPSL-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.08
Rot. Bonds4

About 1-ethenyl-1-prop-2-enoxycyclohexane

1-ethenyl-1-prop-2-enoxycyclohexane (PubChem CID 12997286) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-ethenyl-1-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name1-ethenyl-1-prop-2-enoxycyclohexane
PubChem CID12997286
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-ethenyl-1-prop-2-enoxycyclohexane
SMILESC=CCOC1(C=C)CCCCC1
InChIInChI=1S/C11H18O/c1-3-10-12-11(4-2)8-6-5-7-9-11/h3-4H,1-2,5-10H2
InChIKeyHZIDRQQGOSHPSL-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-prop-2-enoxycyclohexane?
The IUPAC name of 1-ethenyl-1-prop-2-enoxycyclohexane (CID 12997286) is 1-ethenyl-1-prop-2-enoxycyclohexane.
What is the SMILES notation for 1-ethenyl-1-prop-2-enoxycyclohexane?
The canonical SMILES for 1-ethenyl-1-prop-2-enoxycyclohexane is C=CCOC1(C=C)CCCCC1.
What is the InChIKey of 1-ethenyl-1-prop-2-enoxycyclohexane?
The InChIKey is HZIDRQQGOSHPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-3-10-12-11(4-2)8-6-5-7-9-11/h3-4H,1-2,5-10H2.
What are the key properties of 1-ethenyl-1-prop-2-enoxycyclohexane?
1-ethenyl-1-prop-2-enoxycyclohexane has a molecular weight of 166.26 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-prop-2-enoxycyclohexane is sourced from PubChem (CID 12997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).