2,5-dibutyl-5-ethenylcyclohexa-1,3-diene

C16H26 — CID 141421761

IUPAC2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(CCCC)C=CC(CCCC)=CC1
InChIInChI=1S/C16H26/c1-4-7-9-15-10-13-16(6-3,14-11-15)12-8-5-2/h6,10-11,13H,3-5,7-9,12,14H2,1-2H3
InChIKeyZZPZOAJGALQCSU-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.43
Rot. Bonds7

About 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene

2,5-dibutyl-5-ethenylcyclohexa-1,3-diene (PubChem CID 141421761) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
PubChem CID141421761
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
SMILESC=CC1(CCCC)C=CC(CCCC)=CC1
InChIInChI=1S/C16H26/c1-4-7-9-15-10-13-16(6-3,14-11-15)12-8-5-2/h6,10-11,13H,3-5,7-9,12,14H2,1-2H3
InChIKeyZZPZOAJGALQCSU-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569
5-bromo-2-butyl-5-ethynylcyclohexa-1,3-diene
CID 151931819
1,4-dihexylcyclohexa-2,4-diene-1-sulfonic acid
CID 139979030
2,6,6-tributylcyclohexa-1,3-diene
CID 152708300
2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine
CID 142719154
2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-[4-[2-amino-2-[3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]ethenyl]-4-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]ethanol bromide
CID 158245108
5,5-dibutyl-2-(2-butylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 175273562
5,5-dibutyl-1-propylcyclopentene
CID 159049930
5-nonyl-2-(4-nonyl-4-prop-2-enylcyclohexa-1,5-dien-1-yl)oxy-5-prop-2-enylcyclohexa-1,3-diene
CID 141102231
1-hexylcyclobutene
CID 86205685
ethane;2-propylcyclopenta-1,3-diene
CID 142052577

Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene?
The IUPAC name of 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene (CID 141421761) is 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene is C=CC1(CCCC)C=CC(CCCC)=CC1.
What is the InChIKey of 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene?
The InChIKey is ZZPZOAJGALQCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-4-7-9-15-10-13-16(6-3,14-11-15)12-8-5-2/h6,10-11,13H,3-5,7-9,12,14H2,1-2H3.
What are the key properties of 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene?
2,5-dibutyl-5-ethenylcyclohexa-1,3-diene has a molecular weight of 218.38 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-5-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 141421761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).