[(E)-6-methoxyhex-2-en-2-yl]cyclohexane

C13H24O — CID 6366278

IUPAC[(E)-6-methoxyhex-2-en-2-yl]cyclohexane
SMILESCOCCC/C=C(\C)C1CCCCC1
InChIInChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyCACMRWNQXOHQOE-XYOKQWHBSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds5

About [(E)-6-methoxyhex-2-en-2-yl]cyclohexane

[(E)-6-methoxyhex-2-en-2-yl]cyclohexane (PubChem CID 6366278) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [(E)-6-methoxyhex-2-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-6-methoxyhex-2-en-2-yl]cyclohexane
PubChem CID6366278
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[(E)-6-methoxyhex-2-en-2-yl]cyclohexane
SMILESCOCCC/C=C(\C)C1CCCCC1
InChIInChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3/b12-8+
InChIKeyCACMRWNQXOHQOE-XYOKQWHBSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(E)-6-methoxyhex-2-en-2-yl]cyclohexane?
The IUPAC name of [(E)-6-methoxyhex-2-en-2-yl]cyclohexane (CID 6366278) is [(E)-6-methoxyhex-2-en-2-yl]cyclohexane.
What is the SMILES notation for [(E)-6-methoxyhex-2-en-2-yl]cyclohexane?
The canonical SMILES for [(E)-6-methoxyhex-2-en-2-yl]cyclohexane is COCCC/C=C(\C)C1CCCCC1.
What is the InChIKey of [(E)-6-methoxyhex-2-en-2-yl]cyclohexane?
The InChIKey is CACMRWNQXOHQOE-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H24O/c1-12(8-6-7-11-14-2)13-9-4-3-5-10-13/h8,13H,3-7,9-11H2,1-2H3/b12-8+.
What are the key properties of [(E)-6-methoxyhex-2-en-2-yl]cyclohexane?
[(E)-6-methoxyhex-2-en-2-yl]cyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-methoxyhex-2-en-2-yl]cyclohexane is sourced from PubChem (CID 6366278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).