1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene

C17H20 — CID 102323679

IUPAC1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene
SMILESC=C=C(C#Cc1ccccc1C)CCCCC
InChIInChI=1S/C17H20/c1-4-6-7-11-16(5-2)13-14-17-12-9-8-10-15(17)3/h8-10,12H,2,4,6-7,11H2,1,3H3
InChIKeySYTHDZQVISXRNU-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.64
Rot. Bonds4

About 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene

1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene (PubChem CID 102323679) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene
PubChem CID102323679
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene
SMILESC=C=C(C#Cc1ccccc1C)CCCCC
InChIInChI=1S/C17H20/c1-4-6-7-11-16(5-2)13-14-17-12-9-8-10-15(17)3/h8-10,12H,2,4,6-7,11H2,1,3H3
InChIKeySYTHDZQVISXRNU-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.64
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

ethyl 2-(3-ethenylideneoct-1-ynyl)benzoate
CID 23584847
1-(2-methylphenyl)hept-1-yn-3-one
CID 102368811
1-(3-ethenylideneoct-1-ynyl)-4-methoxybenzene
CID 102323677
1-(2-methylphenyl)oct-1-yn-3-ol
CID 146003640
1-(2-methylphenyl)hept-1-yn-3-ol
CID 146003646
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
3-(2-methylphenyl)prop-2-ynoic acid
CID 12754024
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-methylphenyl)undecan-1-one
CID 63409592
nona-1,2-dien-3-ylbenzene
CID 11310172
3-(2-methylphenyl)prop-2-yn-1-ol
CID 45156701
1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene?
The IUPAC name of 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene (CID 102323679) is 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene.
What is the SMILES notation for 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene?
The canonical SMILES for 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene is C=C=C(C#Cc1ccccc1C)CCCCC.
What is the InChIKey of 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene?
The InChIKey is SYTHDZQVISXRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-4-6-7-11-16(5-2)13-14-17-12-9-8-10-15(17)3/h8-10,12H,2,4,6-7,11H2,1,3H3.
What are the key properties of 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene?
1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenylideneoct-1-ynyl)-2-methylbenzene is sourced from PubChem (CID 102323679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).