1-ethoxy-2-(1-ethoxyethenyl)cyclohexane

C12H21O2+ — CID 134837935

IUPAC1-ethoxy-2-(1-ethoxyethenyl)cyclohexane
SMILESC=C(OCC)C1CCCCC1O[CH+]C
InChIInChI=1S/C12H21O2/c1-4-13-10(3)11-8-6-7-9-12(11)14-5-2/h5,11-12H,3-4,6-9H2,1-2H3/q+1
InChIKeyPCBZNOGMOMEDSM-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.29
Rot. Bonds5

About 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane

1-ethoxy-2-(1-ethoxyethenyl)cyclohexane (PubChem CID 134837935) has the molecular formula C12H21O2+ and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane.

Molecular Properties

Compound Name1-ethoxy-2-(1-ethoxyethenyl)cyclohexane
PubChem CID134837935
Molecular FormulaC12H21O2+
Molecular Weight197.30 g/mol
Exact Mass197.15
IUPAC Name1-ethoxy-2-(1-ethoxyethenyl)cyclohexane
SMILESC=C(OCC)C1CCCCC1O[CH+]C
InChIInChI=1S/C12H21O2/c1-4-13-10(3)11-8-6-7-9-12(11)14-5-2/h5,11-12H,3-4,6-9H2,1-2H3/q+1
InChIKeyPCBZNOGMOMEDSM-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane?
The IUPAC name of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane (CID 134837935) is 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane.
What is the SMILES notation for 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane?
The canonical SMILES for 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane is C=C(OCC)C1CCCCC1O[CH+]C.
What is the InChIKey of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane?
The InChIKey is PCBZNOGMOMEDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21O2/c1-4-13-10(3)11-8-6-7-9-12(11)14-5-2/h5,11-12H,3-4,6-9H2,1-2H3/q+1.
What are the key properties of 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane?
1-ethoxy-2-(1-ethoxyethenyl)cyclohexane has a molecular weight of 197.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1-ethoxyethenyl)cyclohexane is sourced from PubChem (CID 134837935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).