1,3-dihexylcyclopropene

C15H28 — CID 22621674

IUPAC1,3-dihexylcyclopropene
SMILESCCCCCCC1=CC1CCCCCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-14-13-15(14)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyURINBBDGIWTVRY-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.48
Rot. Bonds10

About 1,3-dihexylcyclopropene

1,3-dihexylcyclopropene (PubChem CID 22621674) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,3-dihexylcyclopropene.

Molecular Properties

Compound Name1,3-dihexylcyclopropene
PubChem CID22621674
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,3-dihexylcyclopropene
SMILESCCCCCCC1=CC1CCCCCC
InChIInChI=1S/C15H28/c1-3-5-7-9-11-14-13-15(14)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyURINBBDGIWTVRY-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.48
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

1-dodec-6-enyl-3-heptylcyclopropene
CID 123978294
1,5-dioctylcyclopenta-1,3-diene
CID 173106521
[(1S)-2-hexylcycloprop-2-en-1-yl]methyl acetate
CID 101205202
1,3-didodecyl-1H-indene
CID 177256728
3-[2-(3-hydroxypropyl)cycloprop-2-en-1-yl]propan-1-ol
CID 20665259
1,4-dihexyl-5-propylcyclohexa-1,3-diene
CID 177419240
2-nonylbicyclo[2.2.1]hepta-2,5-diene
CID 54345290
(1R,2S,3R,6S,7S)-4-nonyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 51015582
(1R,2R,3S,6R,7S)-4-undecyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 101071845
3-butyl-2-hexyl-1,2-dihydropyridine
CID 174837451
(1S,4R)-5-octylbicyclo[2.2.2]octa-5,7-diene-2,3-diol
CID 10634454
octadecane;pentadecylcyclopropane
CID 173301851

Frequently Asked Questions

What is the IUPAC name of 1,3-dihexylcyclopropene?
The IUPAC name of 1,3-dihexylcyclopropene (CID 22621674) is 1,3-dihexylcyclopropene.
What is the SMILES notation for 1,3-dihexylcyclopropene?
The canonical SMILES for 1,3-dihexylcyclopropene is CCCCCCC1=CC1CCCCCC.
What is the InChIKey of 1,3-dihexylcyclopropene?
The InChIKey is URINBBDGIWTVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-3-5-7-9-11-14-13-15(14)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,3-dihexylcyclopropene?
1,3-dihexylcyclopropene has a molecular weight of 208.39 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihexylcyclopropene is sourced from PubChem (CID 22621674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).