1,4-bis[(E)-but-2-enoxy]cyclohexane

C14H24O2 — CID 22095334

IUPAC1,4-bis[(E)-but-2-enoxy]cyclohexane
SMILESC/C=C/COC1CCC(OC/C=C/C)CC1
InChIInChI=1S/C14H24O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h3-6,13-14H,7-12H2,1-2H3/b5-3+,6-4+
InChIKeyNSBBNLVLTWJNIR-GGWOSOGESA-N
MW224.34 g/mol
LogP3.48
Rot. Bonds6

About 1,4-bis[(E)-but-2-enoxy]cyclohexane

1,4-bis[(E)-but-2-enoxy]cyclohexane (PubChem CID 22095334) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1,4-bis[(E)-but-2-enoxy]cyclohexane.

Molecular Properties

Compound Name1,4-bis[(E)-but-2-enoxy]cyclohexane
PubChem CID22095334
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1,4-bis[(E)-but-2-enoxy]cyclohexane
SMILESC/C=C/COC1CCC(OC/C=C/C)CC1
InChIInChI=1S/C14H24O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h3-6,13-14H,7-12H2,1-2H3/b5-3+,6-4+
InChIKeyNSBBNLVLTWJNIR-GGWOSOGESA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-bis[(E)-but-2-enoxy]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-but-2-enoxy]cyclohexane?
The IUPAC name of 1,4-bis[(E)-but-2-enoxy]cyclohexane (CID 22095334) is 1,4-bis[(E)-but-2-enoxy]cyclohexane.
What is the SMILES notation for 1,4-bis[(E)-but-2-enoxy]cyclohexane?
The canonical SMILES for 1,4-bis[(E)-but-2-enoxy]cyclohexane is C/C=C/COC1CCC(OC/C=C/C)CC1.
What is the InChIKey of 1,4-bis[(E)-but-2-enoxy]cyclohexane?
The InChIKey is NSBBNLVLTWJNIR-GGWOSOGESA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h3-6,13-14H,7-12H2,1-2H3/b5-3+,6-4+.
What are the key properties of 1,4-bis[(E)-but-2-enoxy]cyclohexane?
1,4-bis[(E)-but-2-enoxy]cyclohexane has a molecular weight of 224.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-but-2-enoxy]cyclohexane is sourced from PubChem (CID 22095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).