2-octylcyclohexa-1,3-diene

C14H24 — CID 10797843

IUPAC2-octylcyclohexa-1,3-diene
SMILESCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h9,12-13H,2-8,10-11H2,1H3
InChIKeyGGHLELUJGWHBOU-UHFFFAOYSA-N
MW192.35 g/mol
LogP5.01
Rot. Bonds7

About 2-octylcyclohexa-1,3-diene

2-octylcyclohexa-1,3-diene (PubChem CID 10797843) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-octylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-octylcyclohexa-1,3-diene
PubChem CID10797843
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-octylcyclohexa-1,3-diene
SMILESCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h9,12-13H,2-8,10-11H2,1H3
InChIKeyGGHLELUJGWHBOU-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octylcyclohexa-1,3-diene?
The IUPAC name of 2-octylcyclohexa-1,3-diene (CID 10797843) is 2-octylcyclohexa-1,3-diene.
What is the SMILES notation for 2-octylcyclohexa-1,3-diene?
The canonical SMILES for 2-octylcyclohexa-1,3-diene is CCCCCCCCC1=CCCC=C1.
What is the InChIKey of 2-octylcyclohexa-1,3-diene?
The InChIKey is GGHLELUJGWHBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h9,12-13H,2-8,10-11H2,1H3.
What are the key properties of 2-octylcyclohexa-1,3-diene?
2-octylcyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylcyclohexa-1,3-diene is sourced from PubChem (CID 10797843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).