octa-2,6-diene;4-prop-1-enyloct-2-ene

C19H34 — CID 159592466

IUPACocta-2,6-diene;4-prop-1-enyloct-2-ene
SMILESCC=CC(C=CC)CCCC.CC=CCCC=CC
InChIInChI=1S/C11H20.C8H14/c1-4-7-10-11(8-5-2)9-6-3;1-3-5-7-8-6-4-2/h5-6,8-9,11H,4,7,10H2,1-3H3;3-6H,7-8H2,1-2H3
InChIKeyMKKKNOKZAYEUTF-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.86
Rot. Bonds8

About octa-2,6-diene;4-prop-1-enyloct-2-ene

octa-2,6-diene;4-prop-1-enyloct-2-ene (PubChem CID 159592466) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is octa-2,6-diene;4-prop-1-enyloct-2-ene.

Molecular Properties

Compound Nameocta-2,6-diene;4-prop-1-enyloct-2-ene
PubChem CID159592466
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Nameocta-2,6-diene;4-prop-1-enyloct-2-ene
SMILESCC=CC(C=CC)CCCC.CC=CCCC=CC
InChIInChI=1S/C11H20.C8H14/c1-4-7-10-11(8-5-2)9-6-3;1-3-5-7-8-6-4-2/h5-6,8-9,11H,4,7,10H2,1-3H3;3-6H,7-8H2,1-2H3
InChIKeyMKKKNOKZAYEUTF-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-19-methyltricos-2-ene
CID 173194552
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
(Z)-oct-2-ene
CID 5356796
hexane;(Z)-hex-2-ene
CID 159343029
(2E,6E)-9-tert-butyltrideca-2,6-diene
CID 176585534
pentadeca-2,6-diene
CID 165019979
(2Z,6E)-dodeca-2,6-diene;palladium
CID 158734810
4-methyloct-2-ene
CID 528286
(2E,7E)-dodeca-2,7-diene
CID 173295735
hept-2-ene;methanol
CID 135236025
oct-2-ene;hydrochloride
CID 86744102
(Z)-icos-2-ene
CID 5352524

Frequently Asked Questions

What is the IUPAC name of octa-2,6-diene;4-prop-1-enyloct-2-ene?
The IUPAC name of octa-2,6-diene;4-prop-1-enyloct-2-ene (CID 159592466) is octa-2,6-diene;4-prop-1-enyloct-2-ene.
What is the SMILES notation for octa-2,6-diene;4-prop-1-enyloct-2-ene?
The canonical SMILES for octa-2,6-diene;4-prop-1-enyloct-2-ene is CC=CC(C=CC)CCCC.CC=CCCC=CC.
What is the InChIKey of octa-2,6-diene;4-prop-1-enyloct-2-ene?
The InChIKey is MKKKNOKZAYEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C8H14/c1-4-7-10-11(8-5-2)9-6-3;1-3-5-7-8-6-4-2/h5-6,8-9,11H,4,7,10H2,1-3H3;3-6H,7-8H2,1-2H3.
What are the key properties of octa-2,6-diene;4-prop-1-enyloct-2-ene?
octa-2,6-diene;4-prop-1-enyloct-2-ene has a molecular weight of 262.48 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octa-2,6-diene;4-prop-1-enyloct-2-ene is sourced from PubChem (CID 159592466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).