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

C16H28O2 — CID 24957155

IUPAC1,2-bis[(E)-pent-2-enoxy]cyclohexane
SMILESCC/C=C/COC1CCCCC1OC/C=C/CC
InChIInChI=1S/C16H28O2/c1-3-5-9-13-17-15-11-7-8-12-16(15)18-14-10-6-4-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/b9-5+,10-6+
InChIKeyDGEQECYIKYAWPZ-NXZHAISVSA-N
MW252.40 g/mol
LogP4.26
Rot. Bonds8

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

1,2-bis[(E)-pent-2-enoxy]cyclohexane (PubChem CID 24957155) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,2-bis[(E)-pent-2-enoxy]cyclohexane.

Molecular Properties

Compound Name1,2-bis[(E)-pent-2-enoxy]cyclohexane
PubChem CID24957155
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1,2-bis[(E)-pent-2-enoxy]cyclohexane
SMILESCC/C=C/COC1CCCCC1OC/C=C/CC
InChIInChI=1S/C16H28O2/c1-3-5-9-13-17-15-11-7-8-12-16(15)18-14-10-6-4-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/b9-5+,10-6+
InChIKeyDGEQECYIKYAWPZ-NXZHAISVSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2-bis[(E)-pent-2-enoxy]cyclohexane?
The IUPAC name of 1,2-bis[(E)-pent-2-enoxy]cyclohexane (CID 24957155) is 1,2-bis[(E)-pent-2-enoxy]cyclohexane.
What is the SMILES notation for 1,2-bis[(E)-pent-2-enoxy]cyclohexane?
The canonical SMILES for 1,2-bis[(E)-pent-2-enoxy]cyclohexane is CC/C=C/COC1CCCCC1OC/C=C/CC.
What is the InChIKey of 1,2-bis[(E)-pent-2-enoxy]cyclohexane?
The InChIKey is DGEQECYIKYAWPZ-NXZHAISVSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-5-9-13-17-15-11-7-8-12-16(15)18-14-10-6-4-2/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3/b9-5+,10-6+.
What are the key properties of 1,2-bis[(E)-pent-2-enoxy]cyclohexane?
1,2-bis[(E)-pent-2-enoxy]cyclohexane has a molecular weight of 252.40 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-pent-2-enoxy]cyclohexane is sourced from PubChem (CID 24957155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).