3-ethenylocta-1,3,6-triene

C10H14 — CID 151118593

IUPAC3-ethenylocta-1,3,6-triene
SMILESC=CC(C=C)=CCC=CC
InChIInChI=1S/C10H14/c1-4-7-8-9-10(5-2)6-3/h4-7,9H,2-3,8H2,1H3
InChIKeyMRRUVDYKUNVUKR-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.25
Rot. Bonds4

About 3-ethenylocta-1,3,6-triene

3-ethenylocta-1,3,6-triene (PubChem CID 151118593) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-ethenylocta-1,3,6-triene.

Molecular Properties

Compound Name3-ethenylocta-1,3,6-triene
PubChem CID151118593
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-ethenylocta-1,3,6-triene
SMILESC=CC(C=C)=CCC=CC
InChIInChI=1S/C10H14/c1-4-7-8-9-10(5-2)6-3/h4-7,9H,2-3,8H2,1H3
InChIKeyMRRUVDYKUNVUKR-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexa-1,4-diene
CID 163631115
(3E,6Z)-3-propylsulfanylocta-1,3,6-triene
CID 143350458
hexa-1,4-diene;hydrate
CID 162019515
hepta-2,5-diene;rhodium
CID 159015179
ethane;(2Z,5Z)-hepta-2,5-diene
CID 142853970
(2Z,5E)-6-fluoroocta-2,5-diene
CID 142845543
acetic acid;hexa-1,4-diene
CID 174398643
3-ethenyl-N,N-dimethylpenta-2,4-dien-1-amine
CID 129226197
(2E)-2-ethenyl-6-methylhepta-2,5-dienal
CID 5369951
5-methylnona-1,4,7-triene
CID 59970949
(3Z,5Z,8E)-deca-1,3,5,8-tetraene
CID 143634043
(3E,5E,8E)-deca-1,3,5,8-tetraene
CID 57189685

Frequently Asked Questions

What is the IUPAC name of 3-ethenylocta-1,3,6-triene?
The IUPAC name of 3-ethenylocta-1,3,6-triene (CID 151118593) is 3-ethenylocta-1,3,6-triene.
What is the SMILES notation for 3-ethenylocta-1,3,6-triene?
The canonical SMILES for 3-ethenylocta-1,3,6-triene is C=CC(C=C)=CCC=CC.
What is the InChIKey of 3-ethenylocta-1,3,6-triene?
The InChIKey is MRRUVDYKUNVUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-7-8-9-10(5-2)6-3/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3-ethenylocta-1,3,6-triene?
3-ethenylocta-1,3,6-triene has a molecular weight of 134.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylocta-1,3,6-triene is sourced from PubChem (CID 151118593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).