2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene

C20H28O — CID 122215800

IUPAC2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
SMILESC#CC(C)(OCCCC/C=C/CCCC)c1ccccc1
InChIInChI=1S/C20H28O/c1-4-6-7-8-9-10-11-15-18-21-20(3,5-2)19-16-13-12-14-17-19/h2,8-9,12-14,16-17H,4,6-7,10-11,15,18H2,1,3H3/b9-8+
InChIKeySPFPSTYSFQZGPP-CMDGGOBGSA-N
MW284.44 g/mol
LogP5.47
Rot. Bonds10

About 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene

2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene (PubChem CID 122215800) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene.

Molecular Properties

Compound Name2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
PubChem CID122215800
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene
SMILESC#CC(C)(OCCCC/C=C/CCCC)c1ccccc1
InChIInChI=1S/C20H28O/c1-4-6-7-8-9-10-11-15-18-21-20(3,5-2)19-16-13-12-14-17-19/h2,8-9,12-14,16-17H,4,6-7,10-11,15,18H2,1,3H3/b9-8+
InChIKeySPFPSTYSFQZGPP-CMDGGOBGSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.47
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

bis[(Z)-octadec-9-enoxy]-phenylmethanol
CID 87219212
2-[(2S)-2-phenylbut-3-yn-2-yl]oxyethanol
CID 97289363
[(2S)-2-(methoxymethoxy)but-3-yn-2-yl]benzene
CID 124584766
[(E)-octadec-9-enoxy]-[4-(2-phenylpropan-2-yl)phenoxy]phosphane
CID 58388385
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
1-octadecoxy-1-phenylethanol
CID 175437177
CID 70492452
CID 70492452
[(E)-octadec-9-enyl] bis[4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 126572970
[[(5R,8Z,11Z,14Z)-5-(methoxymethoxy)icosa-8,11,14-trienoxy]-diphenylmethyl]benzene
CID 11039245
pentoxy(diphenyl)methanol;phosphane
CID 175176254
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
1,1,2,2-tetrahexoxyethylbenzene
CID 3939023

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene?
The IUPAC name of 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene (CID 122215800) is 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene.
What is the SMILES notation for 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene?
The canonical SMILES for 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene is C#CC(C)(OCCCC/C=C/CCCC)c1ccccc1.
What is the InChIKey of 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene?
The InChIKey is SPFPSTYSFQZGPP-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H28O/c1-4-6-7-8-9-10-11-15-18-21-20(3,5-2)19-16-13-12-14-17-19/h2,8-9,12-14,16-17H,4,6-7,10-11,15,18H2,1,3H3/b9-8+.
What are the key properties of 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene?
2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene has a molecular weight of 284.44 g/mol, XLogP of 5.47, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-dec-5-enoxy]but-3-yn-2-ylbenzene is sourced from PubChem (CID 122215800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).