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

C20H36O2 — CID 24957150

IUPAC1,2-bis[(E)-hept-2-enoxy]cyclohexane
SMILESCCCC/C=C/COC1CCCCC1OC/C=C/CCCC
InChIInChI=1S/C20H36O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h9-10,13-14,19-20H,3-8,11-12,15-18H2,1-2H3/b13-9+,14-10+
InChIKeyAYXVOKIXCIBHGS-UTLPMFLDSA-N
MW308.51 g/mol
LogP5.82
Rot. Bonds12

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

1,2-bis[(E)-hept-2-enoxy]cyclohexane (PubChem CID 24957150) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-bis[(E)-hept-2-enoxy]cyclohexane.

Molecular Properties

Compound Name1,2-bis[(E)-hept-2-enoxy]cyclohexane
PubChem CID24957150
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name1,2-bis[(E)-hept-2-enoxy]cyclohexane
SMILESCCCC/C=C/COC1CCCCC1OC/C=C/CCCC
InChIInChI=1S/C20H36O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h9-10,13-14,19-20H,3-8,11-12,15-18H2,1-2H3/b13-9+,14-10+
InChIKeyAYXVOKIXCIBHGS-UTLPMFLDSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 135036919
CID 135036919
CID 135036956
CID 135036956
CID 135063528
CID 135063528
CID 162417336
CID 162417336
CID 13618023
CID 13618023
CID 13315678
CID 13315678
CID 18689223
CID 18689223
CID 20567932
CID 20567932
CID 24957151
CID 24957151
CID 24957154
CID 24957154
CID 24957155
CID 24957155
CID 24957520
CID 24957520

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-hept-2-enoxy]cyclohexane?
The IUPAC name of 1,2-bis[(E)-hept-2-enoxy]cyclohexane (CID 24957150) is 1,2-bis[(E)-hept-2-enoxy]cyclohexane.
What is the SMILES notation for 1,2-bis[(E)-hept-2-enoxy]cyclohexane?
The canonical SMILES for 1,2-bis[(E)-hept-2-enoxy]cyclohexane is CCCC/C=C/COC1CCCCC1OC/C=C/CCCC.
What is the InChIKey of 1,2-bis[(E)-hept-2-enoxy]cyclohexane?
The InChIKey is AYXVOKIXCIBHGS-UTLPMFLDSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h9-10,13-14,19-20H,3-8,11-12,15-18H2,1-2H3/b13-9+,14-10+.
What are the key properties of 1,2-bis[(E)-hept-2-enoxy]cyclohexane?
1,2-bis[(E)-hept-2-enoxy]cyclohexane has a molecular weight of 308.51 g/mol, XLogP of 5.82, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-hept-2-enoxy]cyclohexane is sourced from PubChem (CID 24957150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).