[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane

C14H22O — CID 130256816

IUPAC[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane
SMILESC/C=C\C(=C/C=C/C1CCCCC1)OC
InChIInChI=1S/C14H22O/c1-3-8-14(15-2)12-7-11-13-9-5-4-6-10-13/h3,7-8,11-13H,4-6,9-10H2,1-2H3/b8-3-,11-7+,14-12+
InChIKeyQCUGJLZGVSIMRI-XABFLXPASA-N
MW206.33 g/mol
LogP4.23
Rot. Bonds4

About [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane

[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane (PubChem CID 130256816) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane.

Molecular Properties

Compound Name[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane
PubChem CID130256816
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane
SMILESC/C=C\C(=C/C=C/C1CCCCC1)OC
InChIInChI=1S/C14H22O/c1-3-8-14(15-2)12-7-11-13-9-5-4-6-10-13/h3,7-8,11-13H,4-6,9-10H2,1-2H3/b8-3-,11-7+,14-12+
InChIKeyQCUGJLZGVSIMRI-XABFLXPASA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

prop-1-enylcyclododecane
CID 139760926
2-cyclohexylethenylcyclohexane
CID 4124459
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
3-cyclohexyl-N-hydroxyprop-2-enamide
CID 71376620
(E)-3-cycloheptyl-N-methoxy-N-methylprop-2-enamide
CID 138512244
3-cyclohexylprop-2-enal
CID 54063598
(E)-N-[(1S)-1-cyclohexylethyl]but-2-enamide
CID 81384583
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
(2E,4E)-5-cyclohexylpenta-2,4-dien-1-ol
CID 15237283
[(1Z,3E)-4-chlorobuta-1,3-dienyl]cyclohexane
CID 129322249
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
dimethyl 2-[(E)-3-cyclohexylprop-2-enyl]propanedioate
CID 102464212

Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane?
The IUPAC name of [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane (CID 130256816) is [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane.
What is the SMILES notation for [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane?
The canonical SMILES for [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane is C/C=C\C(=C/C=C/C1CCCCC1)OC.
What is the InChIKey of [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane?
The InChIKey is QCUGJLZGVSIMRI-XABFLXPASA-N. The full InChI is InChI=1S/C14H22O/c1-3-8-14(15-2)12-7-11-13-9-5-4-6-10-13/h3,7-8,11-13H,4-6,9-10H2,1-2H3/b8-3-,11-7+,14-12+.
What are the key properties of [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane?
[(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane has a molecular weight of 206.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5Z)-4-methoxyhepta-1,3,5-trienyl]cyclohexane is sourced from PubChem (CID 130256816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).