[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene

C19H22 — CID 11807093

IUPAC[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
SMILESCCCCC#C/C(C)=C(\C#Cc1ccccc1)CC
InChIInChI=1S/C19H22/c1-4-6-7-9-12-17(3)19(5-2)16-15-18-13-10-8-11-14-18/h8,10-11,13-14H,4-7H2,1-3H3/b19-17-
InChIKeyIKZODIZTRIKQEZ-ZPHPHTNESA-N
MW250.38 g/mol
LogP4.96
Rot. Bonds3

About [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene

[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene (PubChem CID 11807093) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene.

Molecular Properties

Compound Name[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
PubChem CID11807093
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
SMILESCCCCC#C/C(C)=C(\C#Cc1ccccc1)CC
InChIInChI=1S/C19H22/c1-4-6-7-9-12-17(3)19(5-2)16-15-18-13-10-8-11-14-18/h8,10-11,13-14H,4-7H2,1-3H3/b19-17-
InChIKeyIKZODIZTRIKQEZ-ZPHPHTNESA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-butyl-4-(2-phenylethynyl)oct-3-en-1-ynyl]benzene
CID 10925864
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ethane;non-1-ynylbenzene
CID 143616673
oct-1-en-3-yn-2-ylbenzene
CID 86242377
[(Z)-4-methyl-1-phenyloct-3-en-1-yn-3-yl]benzene
CID 102375518
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
1,1,1-trifluoro-N-(2-hex-1-ynylphenyl)-4-phenylbut-3-yn-2-imine
CID 102428527
7-phenylhept-6-yn-2-one
CID 11084575
butyl 3-phenylprop-2-ynoate
CID 11769566

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene?
The IUPAC name of [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene (CID 11807093) is [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene.
What is the SMILES notation for [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene?
The canonical SMILES for [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene is CCCCC#C/C(C)=C(\C#Cc1ccccc1)CC.
What is the InChIKey of [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene?
The InChIKey is IKZODIZTRIKQEZ-ZPHPHTNESA-N. The full InChI is InChI=1S/C19H22/c1-4-6-7-9-12-17(3)19(5-2)16-15-18-13-10-8-11-14-18/h8,10-11,13-14H,4-7H2,1-3H3/b19-17-.
What are the key properties of [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene?
[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene has a molecular weight of 250.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene is sourced from PubChem (CID 11807093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).