1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane

C14H24O — CID 67570226

IUPAC1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane
SMILESCCC/C=C/C1CCC(C=COC)CC1
InChIInChI=1S/C14H24O/c1-3-4-5-6-13-7-9-14(10-8-13)11-12-15-2/h5-6,11-14H,3-4,7-10H2,1-2H3/b6-5+,12-11?
InChIKeyBMXBHMSJVMYWSE-JRSXCCBNSA-N
MW208.34 g/mol
LogP4.31
Rot. Bonds5

About 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane

1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane (PubChem CID 67570226) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane
PubChem CID67570226
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane
SMILESCCC/C=C/C1CCC(C=COC)CC1
InChIInChI=1S/C14H24O/c1-3-4-5-6-13-7-9-14(10-8-13)11-12-15-2/h5-6,11-14H,3-4,7-10H2,1-2H3/b6-5+,12-11?
InChIKeyBMXBHMSJVMYWSE-JRSXCCBNSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane?
The IUPAC name of 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane (CID 67570226) is 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane.
What is the SMILES notation for 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane?
The canonical SMILES for 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane is CCC/C=C/C1CCC(C=COC)CC1.
What is the InChIKey of 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane?
The InChIKey is BMXBHMSJVMYWSE-JRSXCCBNSA-N. The full InChI is InChI=1S/C14H24O/c1-3-4-5-6-13-7-9-14(10-8-13)11-12-15-2/h5-6,11-14H,3-4,7-10H2,1-2H3/b6-5+,12-11?.
What are the key properties of 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane?
1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane has a molecular weight of 208.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethenyl)-4-[(E)-pent-1-enyl]cyclohexane is sourced from PubChem (CID 67570226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).