9,10-dioctyloctadec-9-ene

C34H68 — CID 10814462

IUPAC9,10-dioctyloctadec-9-ene
SMILESCCCCCCCCC(CCCCCCCC)=C(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H68/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3
InChIKeyZPCNEJNKYRFVTD-UHFFFAOYSA-N
MW476.92 g/mol
LogP13.29
Rot. Bonds28

About 9,10-dioctyloctadec-9-ene

9,10-dioctyloctadec-9-ene (PubChem CID 10814462) has the molecular formula C34H68 and a molecular weight of 476.92 g/mol. Its IUPAC name is 9,10-dioctyloctadec-9-ene.

Molecular Properties

Compound Name9,10-dioctyloctadec-9-ene
PubChem CID10814462
Molecular FormulaC34H68
Molecular Weight476.92 g/mol
Exact Mass476.53
IUPAC Name9,10-dioctyloctadec-9-ene
SMILESCCCCCCCCC(CCCCCCCC)=C(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C34H68/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3
InChIKeyZPCNEJNKYRFVTD-UHFFFAOYSA-N
XLogP13.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 513.29
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

5,6-dibutyltetradec-5-ene
CID 19866346
6-butyl-7-ethyltetradec-6-ene
CID 57142303
10-butyl-11-ethyldocos-10-ene
CID 57219160
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
10-methyl-9-propylicos-9-ene
CID 57290137
methanol;undecane
CID 161373911
8,9-dimethylhexadec-8-ene
CID 140717938
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of 9,10-dioctyloctadec-9-ene?
The IUPAC name of 9,10-dioctyloctadec-9-ene (CID 10814462) is 9,10-dioctyloctadec-9-ene.
What is the SMILES notation for 9,10-dioctyloctadec-9-ene?
The canonical SMILES for 9,10-dioctyloctadec-9-ene is CCCCCCCCC(CCCCCCCC)=C(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 9,10-dioctyloctadec-9-ene?
The InChIKey is ZPCNEJNKYRFVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2)34(31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3.
What are the key properties of 9,10-dioctyloctadec-9-ene?
9,10-dioctyloctadec-9-ene has a molecular weight of 476.92 g/mol, XLogP of 13.29, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioctyloctadec-9-ene is sourced from PubChem (CID 10814462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).