hex-1-ene;toluene

C13H20 — CID 22480689

IUPAChex-1-ene;toluene
SMILESC=CCCCC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12/c1-7-5-3-2-4-6-7;1-3-5-6-4-2/h2-6H,1H3;3H,1,4-6H2,2H3
InChIKeyNGAXXOGZNJZHDF-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.36
Rot. Bonds3

About hex-1-ene;toluene

hex-1-ene;toluene (PubChem CID 22480689) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is hex-1-ene;toluene.

Molecular Properties

Compound Namehex-1-ene;toluene
PubChem CID22480689
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Namehex-1-ene;toluene
SMILESC=CCCCC.Cc1ccccc1
InChIInChI=1S/C7H8.C6H12/c1-7-5-3-2-4-6-7;1-3-5-6-4-2/h2-6H,1H3;3H,1,4-6H2,2H3
InChIKeyNGAXXOGZNJZHDF-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzene;buta-1,3-diene;hex-1-ene
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benzene;heptane;hexane;toluene
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CID 174930487
bis(heptane);toluene
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CID 163533806
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CID 145106448
decane;sulfane;toluene
CID 157105742
hex-1-ene;zinc
CID 174554611
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CID 157382882
but-1-ene;tetrakis(hex-1-ene)
CID 22000755
but-1-ene;hexakis(hex-1-ene)
CID 161273113
benzene;butan-1-ol;toluene
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Frequently Asked Questions

What is the IUPAC name of hex-1-ene;toluene?
The IUPAC name of hex-1-ene;toluene (CID 22480689) is hex-1-ene;toluene.
What is the SMILES notation for hex-1-ene;toluene?
The canonical SMILES for hex-1-ene;toluene is C=CCCCC.Cc1ccccc1.
What is the InChIKey of hex-1-ene;toluene?
The InChIKey is NGAXXOGZNJZHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H12/c1-7-5-3-2-4-6-7;1-3-5-6-4-2/h2-6H,1H3;3H,1,4-6H2,2H3.
What are the key properties of hex-1-ene;toluene?
hex-1-ene;toluene has a molecular weight of 176.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;toluene is sourced from PubChem (CID 22480689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).