5,6-dibutyltetradec-5-ene

C22H44 — CID 19866346

IUPAC5,6-dibutyltetradec-5-ene
SMILESCCCCCCCCC(CCCC)=C(CCCC)CCCC
InChIInChI=1S/C22H44/c1-5-9-13-14-15-16-20-22(19-12-8-4)21(17-10-6-2)18-11-7-3/h5-20H2,1-4H3
InChIKeyVFMAYUPTIBMRIP-UHFFFAOYSA-N
MW308.59 g/mol
LogP8.60
Rot. Bonds16

About 5,6-dibutyltetradec-5-ene

5,6-dibutyltetradec-5-ene (PubChem CID 19866346) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is 5,6-dibutyltetradec-5-ene.

Molecular Properties

Compound Name5,6-dibutyltetradec-5-ene
PubChem CID19866346
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name5,6-dibutyltetradec-5-ene
SMILESCCCCCCCCC(CCCC)=C(CCCC)CCCC
InChIInChI=1S/C22H44/c1-5-9-13-14-15-16-20-22(19-12-8-4)21(17-10-6-2)18-11-7-3/h5-20H2,1-4H3
InChIKeyVFMAYUPTIBMRIP-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.60
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

9,10-dioctyloctadec-9-ene
CID 10814462
6-butyl-7-ethyltetradec-6-ene
CID 57142303
10-butyl-11-ethyldocos-10-ene
CID 57219160
bromo-(2-butyl-3-octylundec-2-enyl)-octylborane
CID 135048100
dodecan-5-one
CID 29771
10-methyl-9-propylicos-9-ene
CID 57290137
(Z)-10-methyl-9-propylicos-9-ene
CID 18601799
methanol;undecane
CID 161373911
8,9-dimethylhexadec-8-ene
CID 140717938
decane;heptane
CID 159049036
henoctacontane
CID 22086342
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyltetradec-5-ene?
The IUPAC name of 5,6-dibutyltetradec-5-ene (CID 19866346) is 5,6-dibutyltetradec-5-ene.
What is the SMILES notation for 5,6-dibutyltetradec-5-ene?
The canonical SMILES for 5,6-dibutyltetradec-5-ene is CCCCCCCCC(CCCC)=C(CCCC)CCCC.
What is the InChIKey of 5,6-dibutyltetradec-5-ene?
The InChIKey is VFMAYUPTIBMRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44/c1-5-9-13-14-15-16-20-22(19-12-8-4)21(17-10-6-2)18-11-7-3/h5-20H2,1-4H3.
What are the key properties of 5,6-dibutyltetradec-5-ene?
5,6-dibutyltetradec-5-ene has a molecular weight of 308.59 g/mol, XLogP of 8.60, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyltetradec-5-ene is sourced from PubChem (CID 19866346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).