octa-1,2-dienylbenzene

C14H18 — CID 12066892

IUPACocta-1,2-dienylbenzene
SMILESCCCCCC=C=Cc1ccccc1
InChIInChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6-7,9-13H,2-5H2,1H3
InChIKeyBPJFBJDNTJGZEP-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.44
Rot. Bonds5

About octa-1,2-dienylbenzene

octa-1,2-dienylbenzene (PubChem CID 12066892) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is octa-1,2-dienylbenzene.

Molecular Properties

Compound Nameocta-1,2-dienylbenzene
PubChem CID12066892
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Nameocta-1,2-dienylbenzene
SMILESCCCCCC=C=Cc1ccccc1
InChIInChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6-7,9-13H,2-5H2,1H3
InChIKeyBPJFBJDNTJGZEP-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.44
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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Related Compounds

trideca-1,2-dienylbenzene
CID 12769944
3-octa-1,2-dienylpyridine
CID 176725805
CID 101448364
CID 101448364
2-phenyldeca-3,4-dien-2-ol
CID 10988074
[octa-1,2-dienyl(phenyl)phosphoryl]benzene
CID 25111722
trimethyl-[2-(2-octa-1,2-dienylphenyl)ethynyl]silane
CID 11594368
pentacosa-12,13-diene
CID 174365678
[(E)-octadec-1-enyl]benzene
CID 22722345
octadeca-5,6-diene
CID 141110817
hept-1-ene;styrene
CID 163533806
1-fluoronona-1,2-dienylbenzene
CID 174565883
hepta-1,2-dienylsulfinylbenzene
CID 11470056

Frequently Asked Questions

What is the IUPAC name of octa-1,2-dienylbenzene?
The IUPAC name of octa-1,2-dienylbenzene (CID 12066892) is octa-1,2-dienylbenzene.
What is the SMILES notation for octa-1,2-dienylbenzene?
The canonical SMILES for octa-1,2-dienylbenzene is CCCCCC=C=Cc1ccccc1.
What is the InChIKey of octa-1,2-dienylbenzene?
The InChIKey is BPJFBJDNTJGZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6-7,9-13H,2-5H2,1H3.
What are the key properties of octa-1,2-dienylbenzene?
octa-1,2-dienylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,2-dienylbenzene is sourced from PubChem (CID 12066892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).