[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane

C20H34O — CID 11130051

IUPAC[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
SMILESCC(/C=C/C1CCCCC1)OC(C)/C=C/C1CCCCC1
InChIInChI=1S/C20H34O/c1-17(13-15-19-9-5-3-6-10-19)21-18(2)14-16-20-11-7-4-8-12-20/h13-20H,3-12H2,1-2H3/b15-13+,16-14+
InChIKeyOHFLKGVJZQRLGC-WXUKJITCSA-N
MW290.49 g/mol
LogP6.05
Rot. Bonds6

About [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane

[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane (PubChem CID 11130051) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
PubChem CID11130051
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane
SMILESCC(/C=C/C1CCCCC1)OC(C)/C=C/C1CCCCC1
InChIInChI=1S/C20H34O/c1-17(13-15-19-9-5-3-6-10-19)21-18(2)14-16-20-11-7-4-8-12-20/h13-20H,3-12H2,1-2H3/b15-13+,16-14+
InChIKeyOHFLKGVJZQRLGC-WXUKJITCSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane with MolForge

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Related Compounds

(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494
[(E)-4-cyclohexylbut-3-en-2-yl] methyl carbonate
CID 11241316
[(E)-3-methylbut-1-enyl]cyclobutane
CID 171745046
[(E)-2-cyclohexylethenyl]-tris(dimethylamino)phosphanium
CID 10757160
2-cyclohexylethenylcyclohexane
CID 4124459
(E)-4-cyclohexyl-2-hydroxybut-3-enenitrile
CID 130129151
prop-1-enylcyclododecane
CID 139760926
[(E)-2-propan-2-ylselanylethenyl]cyclohexane
CID 10561487
N-(3-cycloheptylprop-2-enyl)-2-methylpropan-1-amine
CID 79348190
[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
CID 11138907
3-cyclohexyl-N-propan-2-ylprop-2-en-1-amine
CID 79348258
(Z)-3-cycloheptylprop-2-enenitrile
CID 11636824

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane?
The IUPAC name of [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane (CID 11130051) is [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane?
The canonical SMILES for [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane is CC(/C=C/C1CCCCC1)OC(C)/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane?
The InChIKey is OHFLKGVJZQRLGC-WXUKJITCSA-N. The full InChI is InChI=1S/C20H34O/c1-17(13-15-19-9-5-3-6-10-19)21-18(2)14-16-20-11-7-4-8-12-20/h13-20H,3-12H2,1-2H3/b15-13+,16-14+.
What are the key properties of [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane?
[(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane has a molecular weight of 290.49 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(E)-4-cyclohexylbut-3-en-2-yl]oxybut-1-enyl]cyclohexane is sourced from PubChem (CID 11130051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).