3,6-dibutylcyclohexa-1,4-diene

C14H24 — CID 90992302

IUPAC3,6-dibutylcyclohexa-1,4-diene
SMILESCCCCC1C=CC(CCCC)C=C1
InChIInChI=1S/C14H24/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-14H,3-8H2,1-2H3
InChIKeyMXIUOSGPFKURGQ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.73
Rot. Bonds6

About 3,6-dibutylcyclohexa-1,4-diene

3,6-dibutylcyclohexa-1,4-diene (PubChem CID 90992302) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3,6-dibutylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3,6-dibutylcyclohexa-1,4-diene
PubChem CID90992302
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3,6-dibutylcyclohexa-1,4-diene
SMILESCCCCC1C=CC(CCCC)C=C1
InChIInChI=1S/C14H24/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-14H,3-8H2,1-2H3
InChIKeyMXIUOSGPFKURGQ-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.73
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

(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
3-propylcyclopropene
CID 19958669
5-undecylcyclopenta-1,3-diene
CID 141280590
3-methyl-6-propylcyclohexa-1,4-diene
CID 143307807
3,4,5,6-tetrabutylcyclohexene
CID 21497713
6-pentylcyclodeca-2,4,7,9-tetraen-1-one
CID 91465318
3-methyl-7-pentylcyclohepta-1,3,5-triene
CID 142802346
4-propyl-1,4-dihydropyridine
CID 20549684
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
2,4,6-tributyl-1,3,5-triazinane
CID 12508643
2,3,5,6-tetrabutyl-1,4-dithiane
CID 20721731

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutylcyclohexa-1,4-diene?
The IUPAC name of 3,6-dibutylcyclohexa-1,4-diene (CID 90992302) is 3,6-dibutylcyclohexa-1,4-diene.
What is the SMILES notation for 3,6-dibutylcyclohexa-1,4-diene?
The canonical SMILES for 3,6-dibutylcyclohexa-1,4-diene is CCCCC1C=CC(CCCC)C=C1.
What is the InChIKey of 3,6-dibutylcyclohexa-1,4-diene?
The InChIKey is MXIUOSGPFKURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-5-7-13-9-11-14(12-10-13)8-6-4-2/h9-14H,3-8H2,1-2H3.
What are the key properties of 3,6-dibutylcyclohexa-1,4-diene?
3,6-dibutylcyclohexa-1,4-diene has a molecular weight of 192.35 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutylcyclohexa-1,4-diene is sourced from PubChem (CID 90992302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).