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

C18H32O2 — CID 24957525

IUPAC1,2-bis[(E)-hex-4-enoxy]cyclohexane
SMILESC/C=C/CCCOC1CCCCC1OCCC/C=C/C
InChIInChI=1S/C18H32O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h3-6,17-18H,7-16H2,1-2H3/b5-3+,6-4+
InChIKeyWIASJGVZDZCAPG-GGWOSOGESA-N
MW280.45 g/mol
LogP5.04
Rot. Bonds10

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

1,2-bis[(E)-hex-4-enoxy]cyclohexane (PubChem CID 24957525) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1,2-bis[(E)-hex-4-enoxy]cyclohexane.

Molecular Properties

Compound Name1,2-bis[(E)-hex-4-enoxy]cyclohexane
PubChem CID24957525
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1,2-bis[(E)-hex-4-enoxy]cyclohexane
SMILESC/C=C/CCCOC1CCCCC1OCCC/C=C/C
InChIInChI=1S/C18H32O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h3-6,17-18H,7-16H2,1-2H3/b5-3+,6-4+
InChIKeyWIASJGVZDZCAPG-GGWOSOGESA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.04
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-hex-4-enoxy]cyclohexane?
The IUPAC name of 1,2-bis[(E)-hex-4-enoxy]cyclohexane (CID 24957525) is 1,2-bis[(E)-hex-4-enoxy]cyclohexane.
What is the SMILES notation for 1,2-bis[(E)-hex-4-enoxy]cyclohexane?
The canonical SMILES for 1,2-bis[(E)-hex-4-enoxy]cyclohexane is C/C=C/CCCOC1CCCCC1OCCC/C=C/C.
What is the InChIKey of 1,2-bis[(E)-hex-4-enoxy]cyclohexane?
The InChIKey is WIASJGVZDZCAPG-GGWOSOGESA-N. The full InChI is InChI=1S/C18H32O2/c1-3-5-7-11-15-19-17-13-9-10-14-18(17)20-16-12-8-6-4-2/h3-6,17-18H,7-16H2,1-2H3/b5-3+,6-4+.
What are the key properties of 1,2-bis[(E)-hex-4-enoxy]cyclohexane?
1,2-bis[(E)-hex-4-enoxy]cyclohexane has a molecular weight of 280.45 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-hex-4-enoxy]cyclohexane is sourced from PubChem (CID 24957525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).